Guillemin—Zener Energy of H2+
- 15 August 1965
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 43 (4) , 1092-1094
- https://doi.org/10.1063/1.1696886
Abstract
The energy of the H2+ ground state 1sσ calculated with the Guillemin—Zener approximate wavefunction, lies within 0.0005 e2/a0 of the exact for the full range of internuclear separations. In the limit of zero separation, . The energy still lies within 0.0010 e2/a0 when the additional requirement is imposed that Hψs remains finite at the nuclei. The Guillemin—Zener energy is less accurate for the first excited 2pσ state.
Keywords
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