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A new formulation of three-body dynamical correlation energy for explicit potential functions
- Source :
- Chemical Physics Letters. 194:333-340
- Publication Year :
- 1992
- Publisher :
- Elsevier BV, 1992.
-
Abstract
- A new formulation of the three-body dynamical correlation energy is presented which allows a correct description of the anisotropic long-range forces for all atom—diatom dissociation channels of a triatomic system, including the known dependence on the diatomic intramolecular coordinate. Illustrative results are reported for H 3 .
- Subjects :
- Van der Waals equation
Chemistry
Triatomic molecule
General Physics and Astronomy
Diatomic molecule
Dissociation (chemistry)
Correlation
symbols.namesake
Classical mechanics
Intramolecular force
Physics::Atomic and Molecular Clusters
symbols
Physics::Atomic Physics
Physics::Chemical Physics
Physical and Theoretical Chemistry
van der Waals force
Atomic physics
Anisotropy
Subjects
Details
- ISSN :
- 00092614
- Volume :
- 194
- Database :
- OpenAIRE
- Journal :
- Chemical Physics Letters
- Accession number :
- edsair.doi...........05309b9a24532ad69afc856ea10ecad0