The electron gas model of Gordcn and Kim is applied to the interaction of inert gases with a hydrogen molecule. Comparison of the isotropic potential wells with available experimental data shows clearly that modification of the exchange potential along the lines suggested by Rae produces greatly imp
A remark on perturbation theory for intermolecular forces
✍ Scribed by Erkki Brändas
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 136 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0020-7608
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📜 SIMILAR VOLUMES
The mathematical problems associated with the development of a satisfactory perturbation theory for exchange forces were discussed in a previous paper, Part I. Different treatments give different results for the second order energy. A new formalism called HAV is proposed. Also, the derivation of the
The first-order function an9 the second-orde r energy of a perturbation theory proposed by the present author are evaluated for H2, by means of a Hylleraas variation principle adapted to this theory. It is found that thus a considerable improvement of the wave function and the energy respectively is
## A perlurbnlion theory for intcrmolccular interactions is dcvcIc+! with wave functions of arbitrary symmetry. Firsl-nnd second-order expressions are lvritten out. For the sake of simplicity in practical calculntions. Lhc Unsiild npproximntion is introduced in the second-order cncrgy. ## i. INT