𝔖 Bobbio Scriptorium
✦   LIBER   ✦

New expressions for interactions between anisotropic molecules

✍ Scribed by P.J. Stiles


Book ID
103016451
Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
493 KB
Volume
30
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


Spl~ero'i~~ harmonics are used to construct a iie!v form~i~m fo: ele&&fic intkctions between molecules in geom-. etries with ne&iblc orbital overlap. The spheroidal dipoku exprcsiion is shown to be superior in certain important respects to the COnVEntiOnd cii+lar famula if either molccuIa is non-spherical in shape.


πŸ“œ SIMILAR VOLUMES


Quantum theoretical calculations of van
✍ Paul E. S. Wormer; Fred Mulder; Ad Van Der Avoird πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 718 KB

## 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

A comparison between various expressions
✍ J Richert; T.H Schucan; M.H Simbel; H.A WeidenmΓΌller πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 951 KB

Different choices of effective interactions and operators are related to each other and to definitions given in the literature. Perturbation expansions are given, and the degree of complexity in evaluating terms of a given order is exhibited. The application of Pad& approximants to different choices

Intermolecular dispersion potential for
✍ D. Robert; C. Girardet; L. Galatry πŸ“‚ Article πŸ“… 1969 πŸ› Elsevier Science 🌐 English βš– 190 KB

An expression for the intermoIecular dispersion potential describing the interaction between linear and spherical molecules is derived. All terms up to R-' have been included and a specific calculation performed for the Pairs HCl -He. HCI -Ie end HCI -Ar. A comparison is made with the corresponding