Characterization of van der Waals interaction potentialsD4h andTd configurations of He4
| Autor: | A.S. Shalabi, W.S. Abdel Halim, E. M. Nour |
|---|---|
| Rok vydání: | 2000 |
| Předmět: |
Electronic correlation
Chemistry Van der Waals strain Van der Waals surface Hartree–Fock method Configuration interaction Condensed Matter Physics Atomic and Molecular Physics and Optics symbols.namesake Physics::Atomic and Molecular Clusters symbols Van der Waals radius Physics::Atomic Physics Physical and Theoretical Chemistry Atomic physics Perturbation theory van der Waals force |
| Zdroj: | International Journal of Quantum Chemistry. 76:10-22 |
| ISSN: | 1097-461X 0020-7608 |
| DOI: | 10.1002/(sici)1097-461x(2000)76:1<10::aid-qua2>3.0.co;2-1 |
| Popis: | Van der Waals interaction potentials of the square planar D{sub 4h} and regular tetrahedral T{sub d} configurations of He{sub 4} were examined at the matrix Hartree-Fock, many-body perturbation theory, coupled-cluster theory, and configuration interaction levels of ab initio theory. Potential energy minima, pairwise and nonpairwise additivity, group theoretical parameters, and isotope substitution effects were found to uniquely characterize these interactions. |
| Databáze: | OpenAIRE |
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