CORRELATED WAVE FUNCTION FOR THE GROUND STATE OF THE HYDROGEN $MOLECULE^{*}$
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Date
1958
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Ohio State University
Abstract
“A wave function of the form $\chi=\phi(1)\phi(2)\chi({r}_{12})$ has been applied to compute the ground state energy of the hydrogen molecule. Preliminary results will be presented of variation calculations in which functions $\phi-e^{-\zeta}\Sigma_{rs}{a}_{18}\zeta^\tau\eta^{\zeta}$ and $\chi=\Sigma_{n}{c}_{n}{r}_{12}^{o}$ (where $\zeta$ and $\eta$ are elliptic coordinates, $\zeta$ is the orbital exponent, and $r_{12}$ the distance between the electrons) have been employed. The lengths of the expansions used should reproduce the energy obtainable from a full variation of $\phi$ and $\chi$ to about four significant figures.”
Description
$^{*}$This work assisted by a grant from the National Science Foundation with The University of Chicago. $^{\dagger}$Dr, Kolos is at The University of Chicago under a grant from the Polish Academy of Sciences.
Author Institution: Laboratory of Molecular Structure and Spectra, Department of Physics, The University of Chicago
Author Institution: Laboratory of Molecular Structure and Spectra, Department of Physics, The University of Chicago