Spherical tensor theory of long-range interactions between two molecules
โ Scribed by Piotr Piecuch
- Publisher
- John Wiley and Sons
- Year
- 1984
- Tongue
- English
- Weight
- 858 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0020-7608
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๐ SIMILAR VOLUMES
The Raylcigh-Schrijdinger perturbation treatment accompanied by a multipole expansion of the interaction potential can be used in quantum-mechanical studies of long-range intermolecular interactions. In this paper we obtain a closed espression for the anisotropic pair-wise non-additive part of the s
## Abstract Presenting a relatively simple __ab initio__ method to calculate full van der Waals interaction potentials between molecules, we give rules for the optimization of basis functions which permit the reliable evaluation of second order long range interactions. Closed expressions for the lo
Potential energy curves far the ground state X ' Bgf and for the b "Et state of the hydrogen molecule have been cakulated for internuclear distances 6 4 R Q 12 au. The wavefunctions were represented by 60-term expansions in elliptic coordinates including the interelectronic distance. Improvement ove