Study of Electron Correlation in the Hydride Ion

1 March 1972

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

Vol. 56 (5) , 2267-2271
https://doi.org/10.1063/1.1677529

Abstract

The influence of angular correlation on the wavefunction and energy of the hydride ion has been investigated by solving various angular limit equations through the I limit. Several one‐electron properties are presented along with three‐dimensional plots of the wavefunction. The extrapolated energy is −0.527743 a.u. compared to the exact value of −0.527751 a.u.

Keywords

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