* Silver Z = 47 Z_val = 11 * Units: Hartrees * Type : DF AREP Tabulated * Core radii l value core radii (au) ------- --------------- s 2.74 p 2.56 d 1.03 * Localisation radii, (r_loc, |V_l - V_l'|<10^-5 for r>r_loc and all l,l') Pseudopotential Type r_loc (au) -------------------- ----------- Localised (Grid) 3.17 * Eigenvalues of the 4d(10)5s(1) state LS Coupling [2S] jj Coupling [AV] l value All-el HF Pseudo HF All-el DF Pseudo HF ------- --------- --------- --------- --------- s -0.21998 -0.23713 -0.23716 -0.23713 d -0.53740 -0.51106 -0.51128 -0.51106 (All-electron DF eigenvalues are averaged over spin) * Energy terms of the Pseudo HF (LS) 4d(10)5s(1) [2S] state kinetic energy = 34.15377 el-ion interaction energy = -103.52501 (s part = -3.58619) (d part = -99.93883) Hartree energy = 35.27007 exchange energy = -3.25832 ------------------------------------------------- total energy = -37.35949 * Excitation Energies Configuration LS Coupling jj Coupling All-el HF Pseudo HF All-el DF Pseudo HF Term Energy Energy Term Energy Energy ---- ------ ------ ---- ------ ------ 4d(10)5s(1) 2S 0.00000 0.00000 AV 0.00000 0.00000 4d(9)5s(2) 2D 0.14411 0.14858 AV 0.14220 0.14858 4d(10)5p(1) 2P 0.11066 0.10861 AV 0.11258 0.10861 The All-el HF results have been corrected for relativistic effects by including mass-velocity, Darwin, and spin-spin contact terms.