Title of article :
Accurate Roothaan-Hartree-Fock momentum expectation values for ground states of the atoms He to Xe
Author/Authors :
de la Vega، نويسنده , , J.M.Garcيa and Miguel، نويسنده , , B.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1995
Abstract :
Two new sets of RHF wavefunctions with more accurate energies for the ground states of atoms up to Z = 54 have been published. We report momentum space properties calculated from these new RHF wavefunctions and compare them with those obtained previously for the atoms He to Xe. The behaviour and validity of the powers of 〈pn〉 through the periodic system are analyzed in order to select adequate RHF wavefunctions in momentum space.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters