AB initio studies of He-Ni and He-Cu interaction potentials
β Scribed by H.-O. Beckmann; J.L. Whitten; Inder P. Batra
- Book ID
- 104193428
- Publisher
- Elsevier Science
- Year
- 1985
- Weight
- 39 KB
- Volume
- 156
- Category
- Article
- ISSN
- 0167-2584
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π SIMILAR VOLUMES
The interaction hyperpolarisability of He,, Ne2 and HeA as well as the three-body contribution to the latter are discussed. The calculations have been performed using a computational procedure which relies on an ab initio wave function, McWeeny's coupled Hartree-Fock perturbation theory and an effic
A new estimate of the anisotropic long-range potential energy surface for the interaction of He+ ( 1s 3) and HZ (X 'Zl) has been computed using extended atomic basis sets to construct three-configuration self-consistent-field (MCSCF) molecular orbitals for use in a multireference configuration inter