TABLE III: Calculated potential energy curves of Cl$_{2}$ and HCl for grid Sets A, B, along with literature values (grid-DFT). Negative values are given in a.u. R (a.u.) Cl 2 (Total energy relative to − 29 a.u.) R (a.u.) HCl (Total energy relative to − 15 a.u.) Set A B Ref. [30] A B Ref. [30] 3.50 0.7032 0.7032 0.7033 1.50 0.0533 0.0534 0.0533 3.60 0.7231 0.7232 0.7231 1.60 0.1818 0.1818 0.1818 3.70 0.7383 0.7384 0.7384 1.70 0.2767 0.2767 0.2767 3.80 0.7497 0.7498 0.7497 1.80 0.3464 0.3464 0.3464 3.90 0.7579 0.7580 0.7579 1.90 0.3969 0.3969 0.3969 4.00 0.7635 0.7635 0.7635 2.00 0.4328 0.4328 0.4329 4.10 0.7668 0.7669 0.7669 2.10 0.4578 0.4577 0.4577 4.20 0.7684 0.7686 0.7685 2.20 0.4741 0.4742 0.4742 4.30 0.7686 0.7688 0.7687 2.30 0.4842 0.4842 0.4842 4.40 0.7676 0.7678 0.7678 2.40 0.4895 0.4895 0.4895 4.50 0.7658 0.7659 0.7659 2.50 0.4912 0.4912 0.4912 4.60 0.7632 0.7633 0.7633 2.60 0.4903 0.4903 0.4903 4.70 0.7599 0.7601 0.7601 2.70 0.4874 0.4874 0.4874 4.80 0.7565 0.7566 0.7566 2.80 0.4831 0.4831 0.4831 4.90 0.7527 0.7528 0.7528 2.90 0.4778 0.4778 0.4778 5.00 0.7486 0.7487 0.7488 3.00 0.4718 0.4718 0.4718 -0.767 -0.766 -0.765 -0.764 -0.763 -0.762 -0.761 -0.76  4  4.1  4.2  4.3  4.4  4.5  4.6  4.7 Energy (relative to -29 a.u.)  R (a.u.) Set A Set B Reference -0.49 -0.485 -0.48 -0.475 -0.47  2.4  2.6  2.8  3 Energy (relative to -15 a.u.)  R (a.u.) Set A Set B Reference FIG. 1: Potential energy curves for Cl$_{2}$ (left panel) and HCl (right panel) for grid Sets A, B. Reference grid-DFT results are also given for comparison. increasing N as descending the table. First 10 of these use the same grid parameters as in Table V of I, i.e., N$_{r}$ = 64 , h$_{r}$ = 0 . 4, whereas for last 5 we use N$_{r}$ = 128 , h$_{r}$ = 0 . 3. Overall, the agreement of our results with the reference is excellent. In several occasions (such as Na$_{2}$, P, As, Na$_{2}$Cl$_{2}$), the total energies completely match with them. The largest absolute 10