The exact analytic first-order wavefunction of an H atom in the field of a proton obtained from the unsymmetrized perturbation theory as calculated in 1957 by Dalgamo and Lynn is used to calculate the exchange energy of Hz with the Holstein-Herring method. The asymptotic exchange energy obtained fro
The exchange energy of H+2 calculated from polarization perturbation theory
โ Scribed by Tang, K. T.; Toennies, J. P.; Yiu, C. L.
- Book ID
- 121477399
- Publisher
- American Institute of Physics
- Year
- 1991
- Tongue
- English
- Weight
- 935 KB
- Volume
- 94
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.460211
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๐ SIMILAR VOLUMES
The exchange energy between two atoms has been expressed in terms of a flux integral over a localized wavefunction by Holstein and Herring. By approximating this wavefunction to first order in polarization perturbation theory (Rayleigh-Schrijdinger theory) it is possible to calculate the exchange en
## Abstract The exchange polarization energy and higherโorder exchange corrections arising in the second order of the MurrellโShaw and MusherโAmos (MSโMA) theory are evaluated analytically for the hydrogen molecule ion. At large internuclear distances the secondโorder exchange energy predicted by M
## Abstract The exchange polarization energy for the H~2~^+^ ion is expressed as an infinite sum of its angular components. At large internuclear distances __R__, a particular __l__โcomponent, referred to as __induced__ __2__^__l__^โ__pole exchange energy__, behaves asymptotically like For larger