Second-Order Perturbation Treatment of the Ground State of H2+
- 1 January 1970
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 52 (1), 102-106
- https://doi.org/10.1063/1.1672653
Abstract
Rayleigh–Schrödinger perturbation theory has been used through second order to obtain an analytic representation for the ground‐state wavefunction of H2+. Values of the electronic energy and other molecular properties computed with this approximate wavefunction are compared with the corresponding exact values, and they demonstrate its high accuracy.Keywords
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