* Neon Z = 10 Z_val = 8 * Units: Hartrees * Type : HF Tabulated * Core radii l value core radii (au) ------- --------------- s 0.63 p 0.57 d 0.63 * 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) 0.75 * Eigenvalues of the 2s(2)2p(6) state LS Coupling [rm1] l value All-el HF Pseudo HF ------- --------- --------- s -1.93039 -1.93039 p -0.85041 -0.85041 * Energy terms of the Pseudo HF (LS) 2s(2)2p(6) [1S] state kinetic energy = 27.77298 el-ion interaction energy = -87.99197 (s part = -19.20203) (p part = -68.78994) Hartree energy = 30.70813 exchange energy = -5.08025 ------------------------------------------------- total energy = -34.59111 * Excitation Energies Configuration LS Coupling All-el HF Pseudo HF Term Energy Energy ---- ------ ------ 2s(2)2p(6) 1S 0.00000 0.00000 2s(2)2p(5)3d(1) 3F 0.67342 0.67396 2s(1)2p(6)3d(1) 3D 1.75654 1.76104