# Identification of Beutler-Fano formula in eigenphase shifts and eigentime delays near a resonance

## I Introduction

Resonances observed in the energy-dependence of atomic and molecular processes often correspond to an autoionization or predissociation observed in photo-absorption, i.e., to the excitation of a quasi-bound state in a continuum region. Their spectra are characterized by rich profiles providing a wealth of information on the atomic and molecular dissociation or ionization processes. Beutler’s early observation of rare-gas levels auto-ionizing into a single continuum with angular-momentum conservation was reproduced by Fano through the formula:

$$\sigma (ϵ)=\sigma _0\frac{(ϵq)^2}{1+ϵ^2},$$
(1)   
where $`ϵ`$ is the reduced energy defined by $`2(EE_0)/\mathrm{\Gamma }`$; $`E_0`$ and $`\mathrm{}/\mathrm{\Gamma }`$ represent the resonance energy and the mean life time of the quasi-bound state, respectively; $`\sigma _0`$ represents the photo-fragmentation cross section to the continuum state; $`q`$ is an index that characterizes the line profile (here $`q`$ is employed instead of the usual $`+q`$). Extension of Beutler-Fano formula to the dissociation into multi-channels was obtained by Combet-Farnoux. The energy dependence of $`S`$ matrix near an isolated resonance for such predissociation or autoionization into multi-channels was obtained long ago and well known. By diagonalizing $`S`$ matrix, eigenphase shifts $`\delta _i`$ ($`i`$=1,2,…$`n`$) are obtained from its eigenvalues as

$$S=Ue^{2i\delta }\stackrel{~}{U},$$
(2)   
and utilized frequently as a tool for analyzing the resonances. Eigenphase shifts and corresponding eigenchannels are also extensively used in various forms in Multichannel Quantum Defect Theory which is regarded as one of the most general and powerful theories of resonance.

In contrast to photo-fragmentation cross sections and $`S`$ matrix, the analytical formulas for eigenphase shifts in multichannel processes are not known. According to the numerical studies, eigenphase shifts in the multichannel system are known as showing complicated behaviors near a resonance due to the avoided crossing between curves of eigenphase shifts along the energy. Such a phenomenon of the avoided crossing along the energy is not conspicuous in case of the formulas for photo-dissociation cross sections and $`S`$ matrices. We report here the detailed studies on the behaviors of eigenphase shifts and also times delayed by a collision for the system of one discrete state and two continua, which turn out to be described by functionals of the Beutler-Fano formula. Their behaviors in the system of one discrete state and one continuum are already studied. If one more continuum is added to that system, there enter new phenomena of avoided crossing between curves of eigenphase shifts and eigentimes delayed and of times delayed due to a frame change along the energy besides the resonance behavior. The avoided crossing interactions between eigenphase shifts along the energy always take place near a resonance if they are not excluded for symmetry reasons, as we will see in the later section. The addition of more continua may simply introduce more avoided crossings among the newly added eigenphase shifts. In this sense, the current system of one discrete state and two continua may serve as a prototype system for the study of the effects of avoid crossings between eigenphase shifts and times delayed due to the frame change on the resonance phenomena.

The import of the current work may be in the findings of the new parameters for the avoided crossing interaction, where $`S`$ matrix can be put into a form of $`e^{iH}`$ with $`H`$ hermitian and the time delay matrix (or life time matrix as called by Smith) can be put into a form of $`1+\stackrel{}{P}\stackrel{}{\sigma }`$ where $`\stackrel{}{P}`$ is a polarization vector and $`\stackrel{}{\sigma }`$ is the Pauli matrix. The analogy with the spin system under a magnetic field is exploited to find further properties of $`S`$ matrix and time delay matrix.

Section II describes the known properties of eigenphase shifts. Section III describes the form of $`S`$ matrix near a resonance and the equation for eigenphase shifts. It also discusses some special cases and general characteristics of eigenphase shifts and eigentime delays. Sec. IV obtains the formulas of eigenphase shifts as functionals of the Beutler-Fano formula for the system of one discrete state and two continua. Sec. V obtains the formulas of eigentime delays as functionals of Beutler-Fano formula.

## II Known properties of eigenphase shifts

It is well known that , for an isolated resonance in single channel scattering, the energy dependence of a phase shift, $`\delta (E)`$, is described by the following formula

$$\mathrm{tan}[\delta (E)\delta ^0]=\frac{\mathrm{\Gamma }}{2(E_0E)}=\frac{1}{ϵ},$$
(3)   
where $`\delta ^0`$, $`E_0`$ and $`\mathrm{\Gamma }`$ denote the background phase shift, the energy and the width of the resonance, respectively. The second equality in Eq. (3) defines the dimensionless energy. It can be deduced from Eq. (3) that $`\delta (E)`$ increases slowly except for the narrow energy range around $`E_0`$ where its value undergoes a rapid change and is eventually increased by $`\pi `$ as energy varies from $`\mathrm{}`$ to $`\mathrm{}`$. Due to the property of tangent function, $`\delta (E)`$ can be determined only up to $`n\pi `$ ($`n`$ integer). It is usually taken to be $`\delta ^0`$ at $`E\mathrm{}`$. Then, it becomes $`\delta ^0+\pi `$ at $`E\mathrm{}`$. In the absence of resonance, $`\delta `$ is equal to $`\delta ^0`$. The background phase shift $`\delta ^0`$ is a slowly varying function of energy and usually taken to be constant as a good approximation. Thus, the increase of $`\delta (E)`$ around $`E_0`$ solely comes from resonance. Let us denote the difference between $`\delta (E)`$ and $`\delta ^0`$ by $`\delta _r(E)`$. With this notation, Eq. (3) becomes $`\mathrm{tan}\delta _r(E)`$ = $`\mathrm{tan}\overline{\delta }_r(ϵ)`$ = $`1/ϵ`$, and with the mentioned phase convention of setting $`\delta (E)`$ to $`\delta ^0`$ at $`E=\mathrm{}`$, it can be transformed as follows

$$e^{i\overline{\delta }_r(ϵ)}=\frac{ϵ+i}{\sqrt{ϵ^2+1}}.$$
(4)   
Macek generalized Eq. (3) to multichannel processes as follows

$$2(EE_0)=\underset{k=1}{\overset{n}{}}\mathrm{\Gamma }_k\mathrm{cot}[\delta _k^0\delta _m(E)],m=1,\mathrm{},n,$$
(5)   
where $`\delta _m(E)`$ is the eigenphase shift defined in Eq. (2), $`\delta _k^0`$ is the background phase shifts in channel $`k`$, and $`\mathrm{\Gamma }_k`$ is the partial decay width to channel $`k`$.

Hazi also showed that the eigenphase sum, which will be denoted as $`\delta _\mathrm{\Sigma }(E)`$, satisfies the “single-channel” formula

$$\delta _\mathrm{\Sigma }(E)\underset{k=1}{\overset{n}{}}\delta _k(E)=\delta _\mathrm{\Sigma }^0+\mathrm{tan}^1\frac{\mathrm{\Gamma }}{2(E_0E)}=\delta _\mathrm{\Sigma }^0\mathrm{tan}^1\frac{1}{ϵ},$$
(6)   
where $`\mathrm{\Gamma }`$ is the total width of the resonance, i.e. $`\mathrm{\Gamma }=_{m=1}^n\mathrm{\Gamma }_m`$, and $`\delta _\mathrm{\Sigma }^0`$ is the sum of the background eigenphase, i.e. $`\delta _\mathrm{\Sigma }^0=_{m=1}^n\delta _m^0`$. The reduced energy $`ϵ`$ is the one defined in Eq. (3) except that $`\mathrm{\Gamma }`$ now denotes the total width.

## III Equations for eigenphase shifts in the neighborhood of resonance

The form of $`S`$ matrix in the neighborhood of an isolated resonance in multichannel processes is well known and repeatedly derived in the past using various resonance theories. Though its form is basically same for all resonance theories, its detailed expressions may look differently from theory to theory. Here, Fano’s configuration interaction theory is adopted for the treatment of resonance. In the configuration interaction theory, an isolated resonance in multichannel system is treated as regarding the system as composed of one discrete state $`\varphi `$ and many continuum wave functions $`\psi _E^{(j)}`$. The latter are taken to pre-diagonalize $`H`$. In other words, it is assumed that continuum wave-functions are unable to interact directly with each other. They can, however, interact with each other indirectly via their interactions with the discrete state $`\varphi `$ if the following integrals

$$V_{jE}=\left(\psi _E^{(j)}|H|\varphi \right),$$
(7)   
are not zero. This means that $`H`$ is no longer diagonalized in the combined space spanned by the basis set $`\{\varphi ,\psi _E^{(j)}\}`$. Eigenfunctions $`\mathrm{\Psi }_E^{(j)}`$ of $`H`$ in the space spanned by $`\{\varphi ,\psi _E^{(j)}\}`$ can be obtained analytically as shown by Fano. By applying the incoming wave boundary conditions to those eigenfunctions as follows

$$\mathrm{\Psi }_E^{(j)}\underset{j^{}}{}\varphi _j^{}(\omega )\sqrt{\frac{m}{2\pi k_j^{}}}\left(e^{ik_j^{}R}\delta _{j^{}j}e^{ik_j^{}R}S_{j^{}j}\right),$$
(8)   
S matrix may be obtained as

$$S_{j^{}j}=\underset{j^{\prime \prime }}{}S_{j^{}j^{\prime \prime }}^0\left(\delta _{j^{\prime \prime }j}+2\pi i\frac{V_{j^{\prime \prime }E}V_{jE}^{}}{EE_0i\pi _k|V_{kE}|^2}\right),$$
(9)   
where $`S_{j^{}j^{\prime \prime }}^0`$ is the $`S`$ matrix of the background scattering. Eq. (9) is different from that of outgoing wave in that $`i`$ is replaced by $`i`$. The incoming wave instead of outgoing one is employed here as our interests are in the photo-dissociation processes.

As stated in Ref. , $`2\pi _k|V_{kE}|^2`$ is the spectral width of the resonance peak and is denoted as $`\mathrm{\Gamma }`$. According to Ref. , Eq. (9) may be rewritten as

$$S_{j^{}j}=\underset{j^{\prime \prime }j^{\prime \prime \prime }}{}U_{j^{}j^{\prime \prime }}^0(e^{2i\delta _{j^{\prime \prime }}^0}\delta _{j^{\prime \prime }j^{\prime \prime \prime }}+ic_{j^{\prime \prime }}c_{j^{\prime \prime \prime }})\stackrel{~}{U_{j^{\prime \prime \prime }j}^0}.$$
(10)   
In matrix notation, the above equation becomes

$$S=U^0\left(e^{2i\delta ^0}+ic\stackrel{~}{c}\right)\stackrel{~}{U}^0U^0A\stackrel{~}{U^0},$$
(11)   
where $`c`$ is the column vector and its $`k`$-th element is defined by

$$c_ke^{i\delta _k^0}\sqrt{\frac{\mathrm{\Gamma }_k}{EE_0i\mathrm{\Gamma }/2}}.$$
(12)   
$`\mathrm{\Gamma }_k`$ is the partial resonance decay width to the background eigenchannel $`k`$.

Let us consider obtaining eigenphase shifts $`\delta `$ by the diagonalization of $`S`$ matrix

$$S=Ue^{2i\delta }\stackrel{~}{U}.$$
(13)   
If $`A`$ = $`e^{2i\delta ^0}+ic\stackrel{~}{c}`$ is diagonalized as

$$A=Ve^{2i\delta }\stackrel{~}{V},$$
(14)   
$$S=U^0Ve^{2i\delta }\stackrel{~}{V}\stackrel{~}{U^0}.$$
(15)   
From Eqs. (13) and (15), $`U=U^0V`$.

Let $`x`$ denote the eigenvalue $`e^{2i\delta }`$ of $`A`$, then the eigenvalue of $`A=e^{2i\delta ^0}+ic\stackrel{~}{c}`$ can be obtained by solving the following secular equation

$$\left|\begin{array}{cccc}e^{2i\delta _1^0}+ic_1^2x& ic_1c_2& ic_1c_3& \mathrm{}\\ ic_2c_1& e^{2i\delta _2^0}+ic_2^2x& ic_2c_3& \mathrm{}\\ ic_3c_1& ic_3c_2& e^{2i\delta _3^0}+ic_3^2x& \mathrm{}\\ & & & \mathrm{}\\ & & & \mathrm{}\end{array}\right|=0.$$
(16)   
If we divide the first row of the above determinant by $`ic_1`$, the second row by $`ic_2`$ and the $`k`$-th row by $`ic_k`$ in general, and if we introduce $`x_k`$ defined by

$$x_k\frac{e^{2i\delta _k^0}+ic_k^2x}{ic_k}(\mathrm{or}x_kc_k=\frac{e^{2i\delta _k^0}x}{ic_k}),$$
(17)   
the secular equation becomes

$$\left|\begin{array}{cccc}x_1& c_2& c_3& \mathrm{}\\ c_1& x_2& c_3& \mathrm{}\\ c_1& c_2& x_3& \mathrm{}\\ & & & \mathrm{}\\ & & & \mathrm{}\end{array}\right|=0.$$
(18)   
The above equation for the system of $`n`$ continua can be transformed into Sardi’s form

$$\underset{k=1}{\overset{n}{}}(x_kc_k)+\underset{k=1}{\overset{n}{}}\left[c_k\frac{}{x_k}\underset{m=1}{\overset{n}{}}(x_mc_m)\right]=0.$$
(19)   
By dividing Eq. (19) by its first term, one obtains

$$\underset{k=1}{\overset{n}{}}\frac{c_k}{c_kx_k}=1.$$
(20)   
By substitution of Eqs. (12) and (17), Eq. (20) becomes

$$i\underset{k=1}{\overset{n}{}}\frac{\mathrm{\Gamma }_k}{e^{2i(\delta \delta _k^0)}1}=EE_0i\frac{\mathrm{\Gamma }}{2}.$$
(21)   
Equating the real and imaginary parts, Eq. (21) yields two relations: one is Macek’s formula and the other one is $`_k\mathrm{\Gamma }_k`$ = $`\mathrm{\Gamma }`$. This derivation of Macek’s formula is simpler than the original one. The Sardi’s form is given as a polynomial of order n and more convenient than Macek’s formula in obtaining the solution. In particular, it shows explicitly that the number of roots of Macek’s formula is the same as the number of continua, $`n`$. We will use it in the next section to obtain the solution for the system of one discrete state and two continua. Before doing that, let us comment on the general properties of eigenphase shifts obtainable from the Macek’s formula.

From Macek’s formula, we could draw two properties of eigenphase shifts. Firstly, its differentiation with respect to energy yields

$$\frac{d\delta _m}{dE}=2\left[\underset{k=1}{\overset{n}{}}\frac{\mathrm{\Gamma }_k}{\mathrm{sin}^2(\delta _k^0\delta _m)}\right]^1>0,m=1,\mathrm{},n.$$
(22)   
The above equation tells us that the first derivatives of eigenphase shifts with respect to energy near a resonance are positive. Secondly, asymptotic values of eigenphase shifts (at $`|2(EE_0)/\mathrm{\Gamma }|\mathrm{}`$) are given as $`\delta _1^0`$, $`\delta _2^0`$, $`\delta _3^0`$, …, $`\delta _n^0`$ up to multiples of $`\pi `$.

Let us assume that $`\delta _1^0<\delta _2^0<\mathrm{}<\delta _n^0`$ and that they are all in the range of \[0,$`\pi `$\], for simplicity, which can be always done without loosing generality by the Hazi’s formula (6). Then, the above two properties on eigenphase shifts tell us that eigenphase shifts vary between two asymptotic values of their abscissas given by $`[\delta _1^0,\delta _2^0]`$, $`[\delta _2^0,\delta _3^0]`$, $`\mathrm{}`$, $`[\delta _{n1}^0,\delta _n^0]`$. If $`\delta _n^0`$ becomes larger than $`\pi `$, it is shifted by $`\pi `$ and increases again toward $`\delta _1^0`$. Since the sum of eigenphase shifts shows the resonance behavior and increases by $`\pi `$ around resonance, each eigenphase shift should similarly show up the resonance behavior between two consecutive asymptotes of the abscissas $`[\delta _i^0,\delta _{i+1}^0],(i=1,\mathrm{},n)`$. When the consecutive eigenphase shifts are the same, let us say $`\delta _i^0`$ = $`\delta _{i+1}^0`$, then one of two corresponding eigenphase shifts remains constant while the other one shows up the resonance behavior between two asymptotes $`[\delta _i^0,\delta _{i+2}^0]`$.

## IV Eigenphase shifts for the system of one discrete state and two continua

Let us now consider the system of one discrete state and two continua. For this system, Eq. (19) becomes

$$[(x_1c_1)(x_2c_2)+c_1(x_2c_2)+c_2(x_1c_1)]=0.$$
(23)   
Substituting Eq. (17) into (23), we obtain

$$x^2(e^{2i\delta _1^0}+ic_1^2+e^{2i\delta _2^0}+ic_2^2)x+(e^{2i\delta _1^0}+ic_1^2)(e^{2i\delta _2^0}+ic_2^2)+c_{1}^{}{}_{}{}^{2}c_{2}^{}{}_{}{}^{2}=0.$$
(24)   
The roots of the quadratic equation (24) are obtained as

$`x`$ $`=`$ $`e^{2i\delta _\pm (E)}`$ (25)   
$`=`$ $`{\displaystyle \frac{e^{i(\delta _1^0+\delta _2^0)}}{EE_0i\frac{\mathrm{\Gamma }}{2}}}\left((EE_0)\mathrm{cos}\mathrm{\Delta }_{12}^0+{\displaystyle \frac{\mathrm{\Delta }\mathrm{\Gamma }}{2}}\mathrm{sin}\mathrm{\Delta }_{12}^0\pm i\left\{\mathrm{\Gamma }_1\mathrm{\Gamma }_2+\left[(EE_0)\mathrm{sin}\mathrm{\Delta }_{12}^0{\displaystyle \frac{\mathrm{\Delta }\mathrm{\Gamma }}{2}}\mathrm{cos}\mathrm{\Delta }_{12}^0\right]^2\right\}^{1/2}\right),`$ (26)   
where $`\mathrm{\Gamma }=\mathrm{\Gamma }_1+\mathrm{\Gamma }_2`$, $`\mathrm{\Delta }\mathrm{\Gamma }=\mathrm{\Gamma }_1\mathrm{\Gamma }_2`$, and $`\mathrm{\Delta }_{12}^0=\delta _1^0\delta _2^0`$. If we introduce a dimensionless energy $`ϵ_r`$ (taken differently from the usual notation $`ϵ`$ in order to avoid the confusion with another dimensionless energy $`ϵ_a`$ which will be defined later) as

$$ϵ_r\frac{EE_0}{\mathrm{\Gamma }/2},$$
(27)   
the above equation becomes

$`e^{2i\overline{\delta }_\pm (ϵ_r)}={\displaystyle \frac{e^{i(\delta _1^0+\delta _2^0)}}{ϵ_ri}}\left\{ϵ_r\mathrm{cos}\mathrm{\Delta }_{12}^0+{\displaystyle \frac{\mathrm{\Delta }\mathrm{\Gamma }}{\mathrm{\Gamma }}}\mathrm{sin}\mathrm{\Delta }_{12}^0\pm i\left[{\displaystyle \frac{4\mathrm{\Gamma }_1\mathrm{\Gamma }_2}{\mathrm{\Gamma }^2}}+\left(ϵ_r\mathrm{sin}\mathrm{\Delta }_{12}^0{\displaystyle \frac{\mathrm{\Delta }\mathrm{\Gamma }}{\mathrm{\Gamma }}}\mathrm{cos}\mathrm{\Delta }_{12}^0\right)^2\right]^{1/2}\right\},`$ (28)   
where $`\overline{\delta }`$ is used instead of $`\delta `$ in order to emphasize that the eigenphase shifts are now functions of $`ϵ_r`$ instead of $`E`$.

Analysis of the eigenphase shifts in Eq. (28) is done in the next subsection by introducing phase shifts due to the resonance and avoided crossing interaction.

### A Phase shifts due to resonance and avoided crossing interaction

Eq. (28) can be decomposed into the product of two terms of unit modulus:

$`e^{i\overline{\delta }_r(ϵ_r)}`$ $`=`$ $`{\displaystyle \frac{\sqrt{ϵ_r^2+1}}{ϵ_ri}},`$ (29)   
$`e^{\pm i\overline{\delta }_a(ϵ_r)}`$ $`=`$ $`{\displaystyle \frac{1}{\sqrt{ϵ_r^2+1}}}\left\{ϵ_r\mathrm{cos}\mathrm{\Delta }_{12}^0+{\displaystyle \frac{\mathrm{\Delta }\mathrm{\Gamma }}{\mathrm{\Gamma }}}\mathrm{sin}\mathrm{\Delta }_{12}^0i\left[{\displaystyle \frac{4\mathrm{\Gamma }_1\mathrm{\Gamma }_2}{\mathrm{\Gamma }^2}}+\left(ϵ_r\mathrm{sin}\mathrm{\Delta }_{12}^0{\displaystyle \frac{\mathrm{\Delta }\mathrm{\Gamma }}{\mathrm{\Gamma }}}\mathrm{cos}\mathrm{\Delta }_{12}^0\right)^2\right]^{1/2}\right\},`$ (30)   
(the notations $`\delta _r`$ and $`\delta _a`$ without the bar are also used elsewhere if it is desired to express them in terms of $`E`$ instead of $`ϵ_r`$). The phase shift $`\overline{\delta }_r`$ in the first term is the one due to the resonance as already mentioned in Eq. (4). In single channel scattering, it is the only term besides the background phase shift contributing to the eigenphase shifts near a resonance. In two channel scattering, there enters another phase shift $`\overline{\delta }_a`$ defined by the second term due to the indirect coupling of two continua via quasi-bound state near a resonance.

The functional dependence of $`\overline{\delta }_a(ϵ_r)`$ on energy may be best seen by considering its cotangent like $`\mathrm{cot}\delta _r=ϵ_r`$ as in single channel scattering:

$$\mathrm{cot}\overline{\delta }_a(ϵ_r)=\frac{\left(ϵ_r\mathrm{cos}\mathrm{\Delta }_{12}^0+\frac{\mathrm{\Delta }\mathrm{\Gamma }}{\mathrm{\Gamma }}\mathrm{sin}\mathrm{\Delta }_{12}^0\right)}{\left[\left(ϵ_r\mathrm{sin}\mathrm{\Delta }_{12}^0\frac{\mathrm{\Delta }\mathrm{\Gamma }}{\mathrm{\Gamma }}\mathrm{cos}\mathrm{\Delta }_{12}^0\right)^2+\frac{4\mathrm{\Gamma }_1\mathrm{\Gamma }_2}{\mathrm{\Gamma }^2}\right]^{1/2}}.$$
(31)   
Let us first rewrite Eq. (31) as follows

$$\mathrm{cot}\overline{\delta }_a(ϵ_r)=\mathrm{cot}\mathrm{\Delta }_{12}^0\frac{\frac{\mathrm{\Gamma }\mathrm{sin}\mathrm{\Delta }_{12}^0}{2\sqrt{\mathrm{\Gamma }_1\mathrm{\Gamma }_2}}\left(ϵ_r+\frac{\mathrm{\Delta }\mathrm{\Gamma }}{\mathrm{\Gamma }}\mathrm{tan}\mathrm{\Delta }_{12}^0\right)}{\left\{\left[\frac{\mathrm{\Gamma }\mathrm{sin}\mathrm{\Delta }_{12}^0}{2\sqrt{\mathrm{\Gamma }_1\mathrm{\Gamma }_2}}\left(ϵ_r\frac{\mathrm{\Delta }\mathrm{\Gamma }}{\mathrm{\Gamma }}\mathrm{cot}\mathrm{\Delta }_{12}^0\right)\right]^2+1\right\}^{1/2}}.$$
(32)   
The term inside the bracket in the denominator of Eq. (32) can be transformed as follows

$$\frac{\mathrm{\Gamma }\mathrm{sin}\mathrm{\Delta }_{12}^0}{2\sqrt{\mathrm{\Gamma }_1\mathrm{\Gamma }_2}}\left(ϵ_r\frac{\mathrm{\Delta }\mathrm{\Gamma }}{\mathrm{\Gamma }}\mathrm{cot}\mathrm{\Delta }_{12}^0\right)=\frac{\mathrm{sin}\mathrm{\Delta }_{12}^0}{\sqrt{\mathrm{\Gamma }_1\mathrm{\Gamma }_2}}\left(EE_0\frac{\mathrm{\Delta }\mathrm{\Gamma }}{2}\mathrm{cot}\mathrm{\Delta }_{12}^0\right).$$
(33)   
This suggests that we can introduce a new energy unit $`\mathrm{\Gamma }_a`$:

$$\mathrm{\Gamma }_a\frac{2\sqrt{\mathrm{\Gamma }_1\mathrm{\Gamma }_2}}{\mathrm{sin}\mathrm{\Delta }_{12}^0}=\frac{\sqrt{\mathrm{\Gamma }^2\mathrm{\Delta }\mathrm{\Gamma }^2}}{\mathrm{sin}\mathrm{\Delta }_{12}^0}.$$
(34)   
For simplicity, let us also introduce a new parameter $`E_a`$:

$$E_aE_0+\frac{\mathrm{\Delta }\mathrm{\Gamma }}{2}\mathrm{cot}\mathrm{\Delta }_{12}^0,$$
(35)   
(later it will be shown that $`E_a`$ is the avoided crossing point energy and $`\mathrm{\Gamma }_a`$ is the strength of the avoided crossing interaction).

With these parameters, Eq. (33) becomes $`2(EE_a)/\mathrm{\Gamma }_a`$ which may be considered as a new dimensionless energy and will be denoted as $`ϵ_a`$:

$$ϵ_a\frac{2(EE_a)}{\mathrm{\Gamma }_a}.$$
(36)   
By substituting Eqs. (33) and (36) into (32), we obtain

$$\mathrm{cot}\stackrel{~}{\delta _a}(ϵ_a)=\mathrm{cot}\mathrm{\Delta }_{12}^0\frac{ϵ_aq_a}{\sqrt{ϵ_a^2+1}},$$
(37)   
where $`\stackrel{~}{\delta }_a(ϵ_a)`$ is used instead of $`\overline{\delta }_a(ϵ_r)`$ in order to emphasize that it is now a function of $`ϵ_a`$ and $`q_a`$ is the new parameter defined by

$$q_a\frac{\mathrm{\Delta }\mathrm{\Gamma }}{\sqrt{\mathrm{\Gamma }^2\mathrm{\Delta }\mathrm{\Gamma }^2}\mathrm{cos}\mathrm{\Delta }_{12}^0}.$$
(38)   
Eq. (37) is a functional of the Beutler-Fano function defined by

$$f_{\mathrm{BF}}(ϵ,q)\frac{(ϵq)^2}{1+ϵ^2},$$
(39)   
and can be rewritten as follows

$$\mathrm{cot}\stackrel{~}{\delta _a}(ϵ_a)=\{\begin{array}{cc}\mathrm{cot}\mathrm{\Delta }_{12}^0\sqrt{f_{\mathrm{BF}}(ϵ_a,q_a)}\hfill & \mathrm{when}ϵ_a<q_a\hfill \\ \mathrm{cot}\mathrm{\Delta }_{12}^0\sqrt{f_{\mathrm{BF}}(ϵ_a,q_a)}\hfill & \mathrm{when}ϵ_aq_a\hfill \end{array},$$
(40)   
Eq. (37) or (40) tells us that the phase shift $`\delta _a`$ due to the avoided crossing interaction takes its simplest form when it is parameterized in terms of $`ϵ_a`$ and $`q_a`$. Since we want $`\mathrm{\Gamma }_a`$ to be positive, it will be assumed that $`\mathrm{sin}\mathrm{\Delta }_{12}^00`$, which can always be achieved by the appropriate choice of 1 and 2 for $`\delta _1^0`$ and $`\delta _2^0`$. With this convention in mind, $`\mathrm{\Gamma }_a`$ will be written as $`2\sqrt{\mathrm{\Gamma }_1\mathrm{\Gamma }_2}/|\mathrm{sin}\mathrm{\Delta }_{12}|`$ hereafter.

With the above phase shifts, eigenphase shifts are obtained as

$$2\delta _\pm (E)=\delta _1^0+\delta _2^0+\delta _r(E)\pm \delta _a(E),$$
(41)   
(for the choice of the sign, see ). It is interesting to note that phase shifts of different origins are added up linearly to eigenphase shifts.

Using Eq. (6), the above equation may be expressed in terms of the eigenphase sum $`\delta _\mathrm{\Sigma }(E)`$

$$2\delta _\pm (E)=\delta _\mathrm{\Sigma }(E)\pm \delta _a(E).$$
(42)   
The eigenphase sum $`\delta _\mathrm{\Sigma }(E)`$ consists of the background eigenphase sum $`\delta _\mathrm{\Sigma }^0`$ and the phase shift $`\delta _r(E)`$ due to the resonance. The phase shifts due to the resonance contribute positively from zero to $`\pi `$ as energy varies around a resonance. The phase shift is positive since particles are attracted and bound temporarily near a resonance. The $`\pm `$ sign in front of $`\delta _a(E)`$ in Eq. (41) tells us that the phase shift due to the avoided crossing interaction in one eigenchannel increases at the expense of the phase shift of the other eigenchannel and vice versa. If it is increased in one eigenchannel due to attraction, it decreases in the other one due to repulsion. They are exactly canceled out and do not contribute to the eigenphase sum. The study of $`\delta _a`$ as a function of $`ϵ_a`$ shows that $`\delta _a`$ has an extremum of $`\mathrm{cot}^1(\sqrt{q_a^2+1}\mathrm{cot}\mathrm{\Delta }_{12}^0)`$ at $`ϵ_a=1/q_a`$ (a minimum when $`q_a>0`$, a maximum when $`q_a<0`$). From its definition, the limiting behavior of $`\stackrel{~}{\delta }_a`$ at off-resonance is obtained as

$$\stackrel{~}{\delta }_a(ϵ_a)\{\begin{array}{cc}\mathrm{\Delta }_{12}^0\hfill & \mathrm{when}ϵ_a\mathrm{},\hfill \\ \pi \mathrm{\Delta }_{12}^0\hfill & \mathrm{when}ϵ_a\mathrm{},\hfill \end{array}$$
(43)   
\[note that $`0\mathrm{\Delta }_{12}^0\pi /2`$ according to the convention mentioned below Eq. (40)\]. $`\stackrel{~}{\delta }_a`$ increases around resonance by $`\pi 2\mathrm{\Delta }_{12}^0`$. Thus the phase shift due to avoided crossing interaction varies most around resonance when $`\mathrm{\Delta }_{12}^0`$ = 0 and least when $`\mathrm{\Delta }_{12}^0`$ = $`\pi /2`$. It passes the middle, $`\pi /2`$, of two asymptotes of the abscissas in Eq. (43) when $`ϵ_a`$ = $`q_a`$. Since the avoided crossing point energy $`E_a`$ corresponds to zero of $`ϵ_a`$ \[see the discussion below Eq. (46)\], $`q_a`$ tells how the avoided crossing point energy is apart from the middle of two asymptotes of the abscissas. Such an apartness is a measure of the asymmetry of the curves of $`\stackrel{~}{\delta }_a(ϵ_a)`$. Fig. 1 shows the variations in the behaviors of $`\delta _a`$ and $`\delta _\pm `$ as $`q_a`$ varies.

So far, we obtained eigenvalues of $`S`$ matrix for two open channels near a resonance and decomposed them into contributions from the background, resonance, and avoided crossing interactions. Let us now consider obtaining the eigenvectors of $`S`$ matrix which are usually called eigenchannels. $`S`$ matrix is diagonalized in two steps. It is first transformed to $`A`$ by $`U^0`$ which diagonalizes $`S^0`$ matrix, i.e., $`S`$ = $`U^0A\stackrel{~}{U^0}`$ ($`S^0=U^0e^{2i\delta ^0}\stackrel{~}{U^0}`$). $`A`$ is then diagonalized as in Eq. (14) by $`V`$ matrix which is composed of two eigenvectors $`v_+`$ and $`v_{}`$ corresponding to $`\delta _+`$ and $`\delta _{}`$ as

$$V=\left(\begin{array}{cc}v_+& v_{}\end{array}\right).$$
(44)   
After a lengthy derivation, eigenvectors are obtained as

$$v_+=\left[\begin{array}{c}\mathrm{cos}(\frac{\theta _a}{2})\\ \mathrm{sin}(\frac{\theta _a}{2})\end{array}\right],v_{}=\left[\begin{array}{c}\mathrm{sin}(\frac{\theta _a}{2})\\ \mathrm{cos}(\frac{\theta _a}{2})\end{array}\right],$$
(45)   
with $`\theta _a`$ defined by

$$\mathrm{cos}\theta _a\frac{ϵ_a}{\sqrt{1+ϵ_a^2}},\mathrm{sin}\theta _a\frac{1}{\sqrt{1+ϵ_a^2}}.$$
(46)   
It is interesting to note that eigenvectors are independent of $`q_a`$. They depend only on $`ϵ_a`$. As $`ϵ_a`$ varies from $`\mathrm{}`$ through zero to $`\mathrm{}`$, $`\theta _a`$ varies from zero through $`\pi /2`$ to $`\pi `$ and $`v_+`$ varies from $`\left(\begin{array}{cc}1& \\ 0& \end{array}\right)`$ through $`\frac{1}{\sqrt{2}}\left(\begin{array}{cc}1& \\ 1& \end{array}\right)`$ to $`\left(\begin{array}{cc}0& \\ 1& \end{array}\right)`$ . Thus, at $`ϵ_a`$ = 0 or at $`E`$ = $`E_0`$ \+ $`\frac{\mathrm{\Delta }\mathrm{\Gamma }}{2}\mathrm{cot}\mathrm{\Delta }_{12}^0`$, two eigenphase shifts are avoided most. For this reason $`ϵ_a`$ = 0 is considered as the avoided crossing point energy. (Another way to see that $`ϵ_a=0`$ is the avoided crossing point energy might be to remove the cause of the avoidance of two eigenphase shift curves and to let them cross through each other and to see whether the crossing point is $`ϵ_a=0`$. This was done and $`ϵ_a=0`$ is confirmed to be the crossing point.)

Let us parameterize $`U^0`$ matrix as

$$U^0=\left(\begin{array}{cc}\mathrm{cos}\theta ^0& \mathrm{sin}\theta ^0\\ \mathrm{sin}\theta ^0& \mathrm{cos}\theta ^0\end{array}\right),$$
(47)   
where $`\theta ^0`$ may be considered as the angle by which the frame for background eigenchannels is rotated from the frame for background asymptotic channels. By calculating the multiplication of $`U=U^0V`$ and by noting that $`U`$ matrix is composed of eigenvectors $`u_+`$ and $`u_{}`$ of $`S`$ matrix as

$$U=\left(\begin{array}{cc}u_+& u_{}\end{array}\right),$$
(48)   
the eigenvectors of $`S`$ matrix are obtained as

$$u_+=\left[\begin{array}{c}\mathrm{cos}(\frac{\theta _a^{}}{2})\\ \mathrm{sin}(\frac{\theta _a^{}}{2})\end{array}\right],u_{}=\left[\begin{array}{c}\mathrm{sin}(\frac{\theta _a^{}}{2})\\ \mathrm{cos}(\frac{\theta _a^{}}{2})\end{array}\right],$$
(49)   
where $`\theta _a^{}`$ is defined by

$$\theta _a^{}\theta _a+2\theta ^0.$$
(50)   
### B $`S`$ matrix in terms of new parameters

Let us now express $`S`$ matrix in terms of new parameters introduced in the previous section. Reassembling by using its eigenvalues $`e^{2i\delta _+}`$ and $`e^{2i\delta _{}}`$ ($`\delta _\pm `$ = $`\delta _\mathrm{\Sigma }`$ $`\pm \delta _a`$) and eigenvectors Eq. (45), $`A`$ becomes as follows

$`A`$ $`=`$ $`\left(\begin{array}{cc}v_+& v_{}\end{array}\right)\left(\begin{array}{cc}e^{2i\delta _+}& 0\\ 0& e^{2i\delta _{}}\end{array}\right)\left(\begin{array}{c}\stackrel{~}{v_+}\\ \stackrel{~}{v_{}}\end{array}\right)`$ (56)   
$`=`$ $`e^{i\delta _\mathrm{\Sigma }}\left(\begin{array}{cc}\mathrm{cos}\delta _ai\mathrm{sin}\delta _a\mathrm{cos}\theta _a& i\mathrm{sin}\delta _a\mathrm{sin}\theta _a\\ i\mathrm{sin}\delta _a\mathrm{sin}\theta _a& \mathrm{cos}\delta _a+i\mathrm{sin}\delta _a\mathrm{cos}\theta _a\end{array}\right).`$ (59)   
From the relation $`S=U^0A\stackrel{~}{U^0}`$ with $`U^0`$ matrix defined in (47), $`S`$ matrix is obtained as

$$S=e^{i\delta _\mathrm{\Sigma }}\left(\begin{array}{cc}\mathrm{cos}\delta _ai\mathrm{sin}\delta _a\mathrm{cos}\theta _a^{}& i\mathrm{sin}\delta _a\mathrm{sin}\theta _a^{}\\ i\mathrm{sin}\delta _a\mathrm{sin}\theta _a^{}& \mathrm{cos}\delta _a+i\mathrm{sin}\delta _a\mathrm{cos}\theta _a^{}\end{array}\right),$$
(60)   
where $`\theta _a^{}`$ is defined in Eq. (50). Using Pauli matrices, it can be transformed into an invariant form:

$`S`$ $`=`$ $`e^{i\delta _\mathrm{\Sigma }}\left\{\mathrm{cos}\delta _ai\mathrm{sin}\delta _a[\sigma _z\mathrm{cos}\theta _a^{}+\sigma _x\mathrm{sin}\theta _a^{}]\right\}`$ (61)   
$`=`$ $`e^{i\delta _\mathrm{\Sigma }}\left(\mathrm{cos}\delta _ai\mathrm{sin}\delta _a\stackrel{}{\sigma }\widehat{n}_{\theta _a^{}}\right),`$ (62)   
where the unit vector $`\widehat{n}_{\theta _a^{}}`$ is defined as

$$\widehat{n}_{\theta _a^{}}\widehat{z}\mathrm{cos}\theta _a^{}+\widehat{x}\mathrm{sin}\theta _a^{}.$$
(63)   
Since

$$\mathrm{cos}\delta _ai\mathrm{sin}\delta _a\stackrel{}{\sigma }\widehat{n}_{\theta _a^{}}=e^{i\delta _a\stackrel{}{\sigma }\widehat{n}_{\theta _a^{}}},$$
(64)   
it is simplified into the form of $`e^{iH}`$ ($`H`$ hermitian):

$$S=e^{i\left(\delta _\mathrm{\Sigma }+\delta _a\stackrel{}{\sigma }\widehat{n}_{\theta _a^{}}\right)}.$$
(65)   
Since $`\left(\stackrel{}{\sigma }\widehat{n}_{\theta _a^{}}\right)^2`$ = 1, $`\stackrel{}{\sigma }\widehat{n}_{\theta _a^{}}`$ has two eigenvalues $`\pm 1`$. $`u_+`$ and $`u_{}`$ in Eq. (49) are their corresponding eigenvectors. In this case, it is well known that the vectors $`\pm \widehat{n}_{\theta _a^{}}`$ equal the expectation values of the Pauli spin operator, $`(u_\pm |\stackrel{}{\sigma }|u_\pm )`$, and are called the polarization vectors that correspond to the eigenstates $`u_\pm `$, respectively. We can obtain the change in the direction of the polarization axis as a function of energy by differentiating Eq. (63) with respect to $`ϵ_a`$:

$$\frac{d\widehat{n}_{\theta _a^{}}}{dϵ_a}=\widehat{y}\times \widehat{n}_{\theta _a^{}}\frac{d\theta _a^{}}{dϵ_a}.$$
(66)   
Since $`\mathrm{tan}\theta _a=1/ϵ_a`$,

$$\frac{d\theta _a^{}}{dϵ_a}=\frac{d\theta _a}{dϵ_a}=\frac{1}{1+ϵ_a^2}$$
(67)   
The above equations also appear in the spin model for the adiabatic analysis of collisions.

## V Times delayed by collision near a resonance

### A Time delay matrix and eigentime delays

For a single channel system, times delayed by collision, $`\tau `$, are obtained by the first derivatives of phase shifts:

$$\tau (E)=2\mathrm{}\frac{d\delta (E)}{dE}.$$
(68)   
For a multichannel system, we may consider the time delay matrix $`Q`$ defined by

$$Q=i\mathrm{}\left(S^{}\frac{dS}{dE}\right),$$
(69)   
The unitarity of $`S`$ matrix ensures that the time delay matrix $`Q`$ is hermitian. Let us now consider the time delay matrix for the system of one discrete state and two continua. Using Eq. (62) for $`S`$ matrix expressed in terms of the Pauli matrices, the first derivative of $`S`$ matrix with respect to energy is calculated as

$`{\displaystyle \frac{dS}{dE}}=i{\displaystyle \frac{d\delta _\mathrm{\Sigma }}{dE}}S+e^{i\delta _\mathrm{\Sigma }}\left(\mathrm{sin}\delta _ai\mathrm{cos}\delta _a\stackrel{}{\sigma }\widehat{n}_{\theta _a^{}}\right){\displaystyle \frac{d\delta _a}{dE}}+e^{i\delta _\mathrm{\Sigma }}\left(i\mathrm{sin}\delta _a\stackrel{}{\sigma }{\displaystyle \frac{d\widehat{n}_{\theta _a^{}}}{dE}}\right).`$ (70)   
Now the time delay matrix $`Q`$ is obtained as

$`i\mathrm{}S^{}{\displaystyle \frac{dS}{dE}}=\mathrm{}{\displaystyle \frac{d\delta _\mathrm{\Sigma }}{dE}}+\stackrel{}{\sigma }\widehat{n}_{\theta _a^{}}\mathrm{}{\displaystyle \frac{d\delta _a}{dE}}+\mathrm{sin}\delta _a\stackrel{}{\sigma }\left[\widehat{y}\times \widehat{n}_{\theta _a^{}}\mathrm{cos}\delta _a\widehat{y}\mathrm{sin}\delta _a\right]\left(\mathrm{}{\displaystyle \frac{d\theta _a^{}}{dE}}\right).`$ (71)   
Since $`\widehat{n}_{\theta _a^{}}\times \widehat{y}`$ and $`\widehat{y}`$ are perpendicular to $`\widehat{n}_{\theta _a^{}}`$, their linear combination is also perpendicular to $`\widehat{n}_{\theta _a^{}}`$. Let us introduce a vector

$$\widehat{n}_{\theta _a^{}}^{}\widehat{y}\times \widehat{n}_{\theta _a^{}}\mathrm{cos}\delta _a\widehat{y}\mathrm{sin}\delta _a,$$
(72)   
perpendicular to $`\widehat{n}_{\theta _a^{}}`$ and making an angle $`\delta _a`$ with $`\widehat{n}_{\theta _a^{}}\times \widehat{y}`$ and also define the following quantities

$`\tau _r`$ $``$ $`2\mathrm{}{\displaystyle \frac{d\delta _r}{dE}},`$ (73)   
$`\tau _a`$ $``$ $`2\mathrm{}{\displaystyle \frac{d\delta _a}{dE}},`$ (74)   
$`\tau _f`$ $``$ $`2\mathrm{}\mathrm{sin}\delta _a{\displaystyle \frac{d\theta _a^{}}{dE}}.`$ (75)   
The last three quantities correspond to the time delay due to the resonance, the avoided crossing interaction, and the change of the direction of the eigenvectors $`\widehat{n}_{\theta _a^{}}`$ of $`S`$ matrix, or usually termed as the frame change, as a function of energy, respectively. Then, the time delay matrix $`Q`$ may be written as

$$Q=\frac{1}{2}(\tau _r+\stackrel{}{\sigma }\widehat{n}_{\theta _a^{}}\tau _a+\stackrel{}{\sigma }\widehat{n}_{\theta _a^{}}^{}\tau _f).$$
(76)   
Since observable properties of a particle with spin $`\frac{1}{2}`$ can be represented as a function of its spin polarization $`\stackrel{}{P}`$ and the states of all the two-level (two-continua here) systems can be mapped on the states of orientation of a particle with spin $`\frac{1}{2}`$, $`Q`$ may be rewritten in terms of the polarization vectors as

$$Q=\frac{1}{2}\tau _r\left(1+\stackrel{}{P_a}\stackrel{}{\sigma }+\stackrel{}{P_f}\stackrel{}{\sigma }\right),$$
(77)   
where polarization vectors are defined as

$$\stackrel{}{P_a}\frac{\tau _a}{\tau _r}\widehat{n}_{\theta _a^{}},\stackrel{}{P_f}\frac{\tau _f}{\tau _r}\widehat{n}_{\theta _a^{}}^{}.$$
(78)   
The degrees of polarization $`|\stackrel{}{P_a}|`$ and $`|\stackrel{}{P_f}|`$ will be denoted simply as $`P_a`$ and $`P_f`$. They are positive by definition (the term polarization may not be adequate for the time delay matrix. We will return to this point later). Let us introduce a new unit vector

$$\widehat{n}_t=\widehat{n}_{\theta _a^{}}\frac{\tau _a}{\sqrt{\tau _a^2+\tau _f^2}}+\widehat{n}_{\theta _a^{}}^{}\frac{\tau _f}{\sqrt{\tau _a^2+\tau _f^2}}.$$
(79)   
Then Eqs. (76) and (78) become

$$Q=\frac{1}{2}\left(\tau _r+\stackrel{}{\sigma }\widehat{n}_t\sqrt{\tau _a^2+\tau _f^2}\right)=\frac{1}{2}\tau _r\left(1+\stackrel{}{P_t}\stackrel{}{\sigma }\right),$$
(80)   
where

$$\stackrel{}{P_t}\sqrt{P_a^2+P_f^2}\widehat{n}_t.$$
(81)   
Now eigenvalues of the time delay matrix $`Q`$ or eigentime delays, which will be denoted as $`\tau _\pm `$, are easily obtained as

$$\tau _\pm =\frac{1}{2}\left(\tau _r\pm \sqrt{\tau _a^2+\tau _f^2}\right)=\frac{1}{2}\tau _r\left(1\pm P_t\right).$$
(82)   
Notice that $`\tau _a`$ and $`\tau _f`$ are added up incoherently to eigentime delays. Also because of $`\mathrm{tr}(\sigma _i)=0`$ ($`i`$=x,y,z),

$$\mathrm{tr}Q=\tau _++\tau _{}=\tau _r,$$
(83)   
that is, the eigentime delay sum has the same form as that of the eigentime delay in the single channel scattering.

### B Explicit formulas of time delays

The time delay due to the resonance, the first term of Eq. (82), is obtained by differentiating $`\mathrm{tan}\overline{\delta _r}=1/ϵ_r`$ with respect to $`ϵ_r`$ as

$$\overline{\tau }_r(ϵ_r)2\mathrm{}\frac{d\overline{\delta }_r(ϵ_r)}{dϵ_r}=\frac{2\mathrm{}}{1+ϵ_r^2}.$$
(84)   
It takes the Lorentzian form and is thus always positive or delayed as it is kept temporarily by the quasi-bound state.

The form of the time delay due to avoidance, the second term of Eq. (82), is rather complex:

$$\tau _a(E)=2\mathrm{}\frac{d\delta _a}{dE}=\frac{2\mathrm{}\left[\frac{1}{2}\mathrm{\Delta }\mathrm{\Gamma }(EE_0)\mathrm{sin}\mathrm{\Delta }_{12}^0\left(\frac{\mathrm{\Gamma }}{2}\right)^2\mathrm{cos}\mathrm{\Delta }_{12}^0\right]}{\left[(EE_0)^2+\left(\frac{\mathrm{\Gamma }}{2}\right)^2\right]\left\{\mathrm{\Gamma }_1\mathrm{\Gamma }_2+\left[(EE_0)\mathrm{sin}\mathrm{\Delta }_{12}^0\frac{1}{2}\mathrm{\Delta }\mathrm{\Gamma }\mathrm{cos}\mathrm{\Delta }_{12}^0\right]^2\right\}^{1/2}}.$$
(85)   
By changing the independent variable from $`E`$ to $`ϵ_r`$, considering the reduced time delays $`\overline{\tau }_a`$ (=$`2\mathrm{}\frac{d\delta _a}{dϵ_r}`$), and introducing the new parameters $`r^2`$ and $`q_\tau `$ defined by

$$r^2\frac{\mathrm{\Gamma }^2\mathrm{\Delta }\mathrm{\Gamma }^2}{\mathrm{\Delta }\mathrm{\Gamma }^2},$$
(86)   
$$q_\tau \frac{\mathrm{\Gamma }}{\mathrm{\Delta }\mathrm{\Gamma }}\mathrm{cot}\mathrm{\Delta }_{12}^0,$$
(87)   
Eq. (85) is simplified as

$$\overline{\tau }_a(ϵ_r)=\overline{\tau }_r(ϵ_r)\frac{ϵ_rq_\tau }{\sqrt{(ϵ_rq_\tau )^2+r^2(1+ϵ_r^2)}}.$$
(88)   
The factor multiplying $`\overline{\tau _r}(ϵ_r)`$ in the above equation can be transformed to the functional of the Beutler-Fano formula \[the Lorentzian shape of $`\overline{\tau _r}(ϵ_r)`$ may be regarded as a Beutler-Fano shape\]

$`\overline{\tau }_a(ϵ_r)`$ $`=`$ $`\{\begin{array}{cc}\overline{\tau }_r(ϵ_r)\frac{1}{\sqrt{1+r^2\frac{1+ϵ_r^2}{(ϵ_rq_\tau )^2}}},\hfill & \mathrm{when}ϵ_rq_\tau ,\hfill \\ \overline{\tau }_r(ϵ_r)\frac{1}{\sqrt{1+r^2\frac{1+ϵ_r^2}{(ϵ_rq_\tau )^2}}},\hfill & \mathrm{when}ϵ_r>q_\tau ,\hfill \end{array}`$ (91)   
$`=`$ $`\{\begin{array}{cc}\overline{\tau }_r(ϵ_r)\sqrt{\frac{f_{\mathrm{BF}}(ϵ_r,q_\tau )}{f_{\mathrm{BF}}(ϵ_r,q_\tau )+r^2}},\hfill & \mathrm{when}ϵ_rq_\tau ,\hfill \\ \overline{\tau }_r(ϵ_r)\sqrt{\frac{f_{\mathrm{BF}}(ϵ_r,q_\tau )}{f_{\mathrm{BF}}(ϵ_r,q_\tau )+r^2}},\hfill & \mathrm{when}ϵ_r>q_\tau ,\hfill \end{array}`$ (94)   
$``$ $`\overline{\tau }_r(ϵ_r)g_a(ϵ_r).`$ (95)   
Interestingly, $`\overline{\tau }_a`$ takes the Beutler-Fano formula in the energy scale of $`ϵ_r`$ instead of $`ϵ_a`$ in contrast to the case of $`\stackrel{~}{\delta }_a`$, though the former is obtained as the derivative of the latter. Notice that the absolute value of $`g_a`$ is the polarization $`P_a`$ considered in the previous section:

$$P_a=\sqrt{\frac{f_{\mathrm{BF}}(ϵ_r,q_\tau )}{f_{\mathrm{BF}}(ϵ_r,q_\tau )+r^2}}.$$
(96)   
$`g_a`$ changes its sign at $`ϵ_r`$ = $`q_\tau `$, so does the polarization vector $`\stackrel{}{P}_a`$ at the same energy. The study on $`P_a`$ as a function of $`ϵ_r`$ shows that $`P_a`$ has a maximum of $`\sqrt{(1+q_\tau ^2)/(1+q_\tau ^2+r^2)}`$ at $`ϵ_r=1/q_\tau `$ and a minimum of 0 at $`ϵ_r=q_\tau `$ (which corresponds to $`ϵ_a=1/q_a`$ where $`\delta _a`$ has an extremum). Fig. 2 shows the variations in the behaviors of $`g_a(ϵ_r)`$ and $`\overline{\tau }_a(ϵ_r)`$ as functions of $`ϵ_r`$ at three different profile indices $`q_\tau `$ with $`\mathrm{\Delta }_{12}^0`$ fixed (the value of $`q_\tau `$ is restricted by $`|q_\tau /\mathrm{cot}\mathrm{\Delta }_{12}^0|1`$).

Recalling that $`f_{\mathrm{BF}}(ϵ_r,q_\tau )0`$, Eq. (96) tells us that the magnitude of $`P_a(ϵ_r)`$ is smaller than or equal to unity and has the effect of making the absolute magnitude of the time delay $`\overline{\tau }_a`$ due to an avoidance smaller than or equal to that of the time delay $`\overline{\tau }_r`$ due to a resonance:

$$\overline{\tau }_r(ϵ_r)\left|\overline{\tau }_a(ϵ_r)\right|,$$
(97)   
which ensures that $`\overline{\tau }_r(ϵ_r)\pm \overline{\tau }_a`$ are positive.

The above inequality may be obtained without knowing the explicit functional dependences of $`\tau _r`$ and $`\tau _a`$ as functions of energy. Notice that

$$\tau _r\pm \tau _a=2\mathrm{}\frac{d(\delta _r\pm \delta _a)}{dE}=2\mathrm{}\frac{d\delta _\pm }{dE}.$$
(98)   
Because of the inequality (22), the above equation should be larger than or equal to zero, which proves (97). This inequality is the manifestation of the physical fact that eigenphase shifts are increasing functions of energy in the neighborhood of a resonance as colliding particles are kept bound temporarily around a resonance (attractive forces make positive phase shifts).

The above inequality restricts the magnitude of $`P_a`$ to $`0P_a1`$. The magnitude of $`P_a`$ causes the difference between two eigentimes delayed. Eq. (96) tells us that the degree of difference in two eigentime delays is governed by $`r^2`$. Let us consider $`r^2`$ as a function of $`x=\mathrm{\Gamma }_1/\mathrm{\Gamma }`$ ($`0x1`$). Then since $`r^2`$ is symmetric with respect to $`x`$ = $`\frac{1}{2}`$ and its values are zero at $`x=0`$ and 1, infinity at $`x=\frac{1}{2}`$, the magnitudes of $`P_a`$ are 1 at $`x=0`$ and 0 at $`x=\frac{1}{2}`$. Since avoided crossing interaction is strongest at $`x=\frac{1}{2}`$, the difference in two eigentimes delayed due to an avoided crossing interaction completely disappears when the avoided crossing interaction is strongest.

Let us now consider obtaining the explicit formula of the times delayed due to a frame change. By substituting Eq. (67) and

$$\mathrm{sin}\delta _a=\frac{\mathrm{\Gamma }_a}{\mathrm{\Gamma }}\mathrm{sin}\mathrm{\Delta }_{12}^0\sqrt{\frac{ϵ_a^2+1}{ϵ_r^2+1}},$$
(99)   
into Eq. (75), the time delay $`\tau _f`$ due to the frame change is obtained as

$$\tau _f=\tau _r\mathrm{sin}\mathrm{\Delta }_{12}^0\sqrt{\frac{ϵ_r^2+1}{ϵ_a^2+1}}\tau _rg_f.$$
(100)   
The absolute value of $`g_f`$ is the same as $`P_f`$:

$$P_f=|\mathrm{sin}\mathrm{\Delta }_{12}^0|\sqrt{\frac{ϵ_r^2+1}{ϵ_a^2+1}},$$
(101)   
\[actually $`g_f`$ equals $`P_f`$ in the convention mentioned below Eq. (34)\]. Fig. 3 shows the variations in the behaviors of $`P_f(ϵ_r)`$ and $`\overline{\tau }_f(ϵ_r)`$ as functions of energy at three different profile indices $`q_\tau `$ with $`\mathrm{\Delta }_{12}^0`$ fixed.

As in the case of $`\tau _a`$, $`P_f`$ is smaller than or equal to unity. This can be proved by examining the behavior of the graph of $`P_f`$ as a function of $`ϵ_r`$. $`P_f`$ can be easily transformed as a function of $`ϵ_r`$ by substituting

$$ϵ_a=\frac{\mathrm{\Gamma }}{\mathrm{\Gamma }_a}\left(ϵ_r\frac{\mathrm{\Delta }\mathrm{\Gamma }}{\mathrm{\Gamma }}\mathrm{cot}\mathrm{\Delta }_{12}^0\right),$$
(102)   
for $`ϵ_a`$ into Eq. (100). It is then differentiated with respect to energy to yield the roots of the first derivative of $`\overline{\tau }_f(ϵ_r)`$ at $`ϵ_r`$ = $`1/q_\tau `$ and $`q_\tau `$. From this, it is found that $`P_f`$ has the minimum of $`\mathrm{sin}\mathrm{\Delta }_{12}^0\sqrt{1(\mathrm{\Delta }\mathrm{\Gamma }/\mathrm{\Gamma })^2}`$ at $`1/q_\tau `$ and the maximum of unity at $`q_\tau `$. Its values become $`\sqrt{1(\mathrm{\Delta }\mathrm{\Gamma }/\mathrm{\Gamma })^2}`$ at $`ϵ_r\pm \mathrm{}`$. This proves $`0P_f1`$.

Now let us consider the magnitude of the total polarization vector $`P_t=\sqrt{P_a^2+P_f^2}`$. In order to obtain this, let us further transform Eq. (102) using the definition (34) of $`\mathrm{\Gamma }_a`$ and $`\mathrm{\Delta }\mathrm{\Gamma }/\mathrm{\Gamma }=\mathrm{cot}\mathrm{\Delta }_{12}^0/q_\tau `$ as follows

$$ϵ_a=\frac{|\mathrm{sin}\mathrm{\Delta }_{12}^0|}{\sqrt{1\left(\frac{\mathrm{cot}\mathrm{\Delta }_{12}^0}{q_\tau }\right)^2}}\left(ϵ_r\frac{\mathrm{cot}^2\mathrm{\Delta }_{12}^0}{q_\tau }\right).$$
(103)   
Also after some manipulation, we obtain the following relation:

$$(ϵ_rq_\tau )^2+r^2(ϵ_r^2+1)=\left(\frac{q_\tau }{\mathrm{cot}\mathrm{\Delta }_{12}^0}\right)^2\left[\left(ϵ_r\frac{\mathrm{cot}^2\mathrm{\Delta }_{12}^0}{q_\tau }\right)^2+\frac{1\left(\frac{\mathrm{cot}\mathrm{\Delta }_{12}^0}{q_\tau }\right)^2}{\mathrm{sin}^2\mathrm{\Delta }_{12}^0}\right].$$
(104)   
Using Eq. (103) to calculate $`ϵ_a^2+1`$ and comparing the latter with the right hand side of Eq. (104), we obtain

$$ϵ_a^2+1=\frac{\mathrm{sin}^2\mathrm{\Delta }_{12}^0}{r^2}\left[\left(ϵ_rq_\tau \right)^2+r^2\left(ϵ_r^2+1\right)\right],$$
(105)   
where $`r^2=(q_\tau /\mathrm{cot}\mathrm{\Delta }_{12}^0)^21`$ is used. Substituting Eq. (105) into Eq. (101), $`P_f`$ can be put into a functional of Beutler-Fano formula:

$$P_f=\frac{r}{\sqrt{f_{\mathrm{BF}}(ϵ_r,q_\tau )+r^2}},$$
(106)   
From Eqs. (106) and (96), we obtain the surprising result:

$$P_a^2+P_f^2=1.$$
(107)   
This means that eigentime delays for the system of one discrete state and two continua are zero and $`\tau _r(ϵ_r)`$. Though time delays due to the avoided crossing interaction and frame change are asymmetric with respect to the resonance energy and therefore the energy of the longest lifetime does not match with the resonance energy, the energy of the longest overall eigentimes delayed is exactly matched with the resonance energy.

## VI Results and Discussion

Let us summarize the results. In this paper, we considered eigenphase shifts and eigentime delays near a resonance for a system of one discrete state and two continua using Fano’s configuration interaction theory. The eigenphase shifts are obtained as

$`2\delta _\pm (E)={\displaystyle \underset{i}{}}\delta _i^0+\delta _r(E)\pm \delta _a(E),`$

where $`\delta _r(E)`$ is the phase shift due to the modification of the scattering wave by the quasi-bound state and given by $`\mathrm{arctan}(1/ϵ_r)`$ and $`\delta _a(E)`$ is the one due to the modification of the scattering wave by the other wave through the indirect interaction via the quasi-bound state and given as a functional of the Beutler-Fano formula:

$`\mathrm{cot}\delta _a(E)=\mathrm{cot}\mathrm{\Delta }_{12}^0{\displaystyle \frac{ϵ_aq_a}{(1+ϵ_a^2)^{1/2}}}.`$

In the above formula, energy is expressed in the unit of $`\mathrm{\Gamma }_a=2\sqrt{\mathrm{\Gamma }_1\mathrm{\Gamma }_2}/|\mathrm{sin}\mathrm{\Delta }_{12}^0|`$ and shifted from the resonance energy $`E_0`$ by $`\frac{\mathrm{\Delta }\mathrm{\Gamma }}{2}\mathrm{cot}\mathrm{\Delta }_{12}^0`$. The shape of the curve of $`\delta _a(E)`$ is characterized by the line profile index $`q_a=2\mathrm{\Delta }\mathrm{\Gamma }/(2\sqrt{\mathrm{\Gamma }_1\mathrm{\Gamma }_2}\mathrm{cos}\mathrm{\Delta }_{12}^0)`$. The strength of the avoided crossing interaction felt by the eigenphase shifts is governed by the magnitude of $`\mathrm{\Gamma }_a`$. No shift is expected when $`\mathrm{\Gamma }_1`$ equals $`\mathrm{\Gamma }_2`$, where the strength of the avoided crossing interaction is strongest. The maximum shift obtains when either $`\mathrm{\Gamma }_1`$ or $`\mathrm{\Gamma }_2`$ is zero.

Eigenvectors $`v_\pm `$ of $`A`$ of $`S=S^0A`$ corresponding to eigenvalues $`\delta _\pm (E)`$ are obtained as

$`v_+=\left[\begin{array}{c}\mathrm{cos}(\frac{\theta _a}{2})\\ \mathrm{sin}(\frac{\theta _a}{2})\end{array}\right],v_{}=\left[\begin{array}{c}\mathrm{sin}(\frac{\theta _a}{2})\\ \mathrm{cos}(\frac{\theta _a}{2})\end{array}\right],`$

where $`\theta _a`$ is defined by

$`\mathrm{cos}\theta _a={\displaystyle \frac{ϵ_a}{\sqrt{1+ϵ_a^2}}},\mathrm{sin}\theta _a={\displaystyle \frac{1}{\sqrt{1+ϵ_a^2}}}.`$

Eigenvectors are independent of $`q_a`$. They depend only on $`ϵ_a`$. Since $`q_a`$ stands for the apartness of the avoided crossing point energy from the middle of asymptotes of the abscissas of two eigenphase shifts, the above result means that the characteristics of avoided crossing interactions are independent of the asymptotes of the abscissas of eigenphase shifts. The corresponding eigenvectors of $`S`$ matrix are obtained by replacing $`\theta _a`$ with $`\theta _a^{}=\theta _a+2\theta _0`$.

With the new parameters, $`S`$ matrix is found to be expressible as

$`S=e^{i\left(\delta _\mathrm{\Sigma }+\delta _a\stackrel{}{\sigma }\widehat{n}_{\theta _a^{}}\right)},`$

where $`\widehat{n}_{\theta _a^{}}=\widehat{z}\mathrm{cos}\theta _a^{}+\widehat{x}\mathrm{sin}\theta _a^{}`$. In terms of Pauli matrices, the time delay matrix $`Q=i\mathrm{}S^{}\frac{dS}{dE}`$ is found to be consisted of three terms:

$`Q={\displaystyle \frac{1}{2}}(\tau _r+\stackrel{}{\sigma }\widehat{n}_{\theta _a^{}}\tau _a+\stackrel{}{\sigma }\widehat{n}_{\theta _a^{}}^{}\tau _f),`$

the one due to the resonance, the one due to the avoided crossing interaction, and the one due to the change of frame as a function of energy. Because of the last term, eigenfunctions of $`Q`$ matrix are different from those of $`S`$ matrix.

The time delay due to the resonance takes a symmetric Lorentzian form and the time delay due the to avoided crossing takes a form of a functional of the Beutler-Fano formula:

$`\tau _a(E)=\{\begin{array}{cc}\tau _r(E)\frac{1}{\sqrt{1+r^2\frac{1+ϵ_r^2}{(ϵ_rq_\tau )^2}}},\hfill & \mathrm{when}ϵ_rq_\tau ,\hfill \\ \tau _r(E)\frac{1}{\sqrt{1+r^2\frac{1+ϵ_r^2}{(ϵ_rq_\tau )^2}}},\hfill & \mathrm{when}ϵ_r>q_\tau .\hfill \end{array}`$

The asymmetry of $`\tau _a`$ as a function of energy is brought about by the nonzero value of $`q_\tau `$ which is proportional to the shift of the avoided crossing point energy from the resonance one. Thus the asymmetry of $`\tau _a`$ is caused by the mismatch in the positions of the avoided crossing point and resonance energies.

The time delay due to frame change takes the following form:

$`\tau _f(E)=\tau _r(E)\mathrm{sin}\mathrm{\Delta }_{12}^0\sqrt{{\displaystyle \frac{ϵ_r^2+1}{ϵ_a^2+1}}}.`$

The above form may be understood from the fact that the changes of the frame spanned by the eigenvectors of $`S`$ matrix is governed by $`1+ϵ_a^2`$ while the time delay due to the resonance is governed by $`1+ϵ_r^2`$. Therefore the ratio of $`\tau _a`$ to $`\tau _r`$ will be a function of $`(1+ϵ_r^2)/(1+ϵ_a^2)`$. $`\tau _f(E)`$ is also found to be transformed into a functional of the Beutler-Fano formula.

In analogy with the spin $`\frac{1}{2}`$ system, the time delay matrix $`Q`$ may be expressed in terms of polarization vectors and the Pauli spin matrices as

$`Q={\displaystyle \frac{1}{2}}\tau _r\left(1+\stackrel{}{P}_a\stackrel{}{\sigma }+\stackrel{}{P}_f\stackrel{}{\sigma }\right),`$

where polarization vectors are defined by

$`\stackrel{}{P_a}={\displaystyle \frac{\tau _a}{\tau _r}}\widehat{n}_{\theta _a^{}},\stackrel{}{P_f}={\displaystyle \frac{\tau _f}{\tau _r}}\widehat{n}_{\theta _a^{}}^{}.`$

Like the spin $`\frac{1}{2}`$ system, it is found that the absolute values of $`\stackrel{}{P}_a`$ and $`\stackrel{}{P}_f`$ are restricted to $`0|\stackrel{}{P}_a|1`$ and $`0|\stackrel{}{P}_f|1`$. In the present case a complete depolarization means that eigentimes delays are the same regardless of eigenchannels, while a complete polarization means that eigentime delays are 0 and $`\tau _r(E)`$ as a function of energy. Eigenvectors for eigentime delays due to an avoided crossing interaction and due to a frame change are orthogonal to each other and contribute to the total eigentime delays as $`\sqrt{\tau _a^2+\tau _f^2}=\tau _r\sqrt{P_a^2+P_f^2}`$. It is found that $`P_a^2+P_f^2=1`$. This means that one among two total eigentime delays is zero while the other one is the same as the time delayed by the resonance state. Though time delays due to an avoided crossing interaction and a frame change are asymmetric with respect to the resonance energy and therefore the energy of the longest lifetime not matched with the resonance energy, the energy of the longest overall eigentimes delayed is exactly matched with the resonance energy. Though this is a surprising result, it should rather be so if we recall that all the partial life times obtained from the partial photo-dissociation cross sections as a function of energy are the same in the system of one discrete state and many continua. But the detailed study on their connection is beyond the scope of this paper.

Present work reveals the dynamical parameters that govern the behaviors of eigenphase shifts and eigentime delays for the system of one discrete state and two continua. It may be applied to the systems of more than two continua by approximating that such systems are a cascade of independent two interacting continua. In that sense, current study may be considered as a prototype model for the “isolated” avoided crossing interaction. For the system of one discrete state and three or four continua, Eq. (19) becomes third and fourth order equation and its solution can be obtained by the Cartan and Ferrari’s method. It may be highly desirable to do the similar studies on these systems.

###### Acknowledgements.

I would like to thank to Professors Fano and Nakamura for their interests and advice on this work. Careful readings and comments by Young-Man Han are also appreciated. This work was supported by KOSEF under contract No. 961-0305-050-2 and at the end stage by Korean Ministry of Education through Research Fund No. BSRI-97-3449.