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Use of time-dependent wave-packet theory in electron-molecule scattering.

Time-dependent wave-packet theory [B. Ritchie, Phys. Rev. A 45, R4207 (1992)] is applied to electron-molecule scattering. The Schroedinger equation is solved in time and space on a numerical grid, thus avoiding use of basis-set expansions. A plane-wave-centered, Gaussian wave packet is propagated through the region of the potential. Once the wave packet has passed outside the range of the potential, the differential cross section is calculated directly from the multidimensional wave function by use of the Huygens-Fresnel integral from optics.