Correlated and Hartree–Fock Wavefunctions for the 1s2s 3S State of Helium

15 March 1971

journal article
research article
Published by AIP Publishing in The Journal of Chemical Physics

Vol. 54 (6) , 2618-2620
https://doi.org/10.1063/1.1675221

Abstract

Energies are calculated variationally using an antisymmetrized orbital product times the correlation function g = [1 + λr12 + μ(r2 − r1)2]m (m = 12or 1). Energy errors are 0.00013 a.u. when m = 12 and 0.00030 a.u. when m = 1. Values of λ and μ are considerably smaller than in the case of the ground state. The Hartree–Fock energy is found to be − 2.17425 a.u. Various expectation values are reported for all wavefunctions.

Keywords

This publication has 5 references indexed in Scilit:

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