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Configuration interaction wavefunction for positronium hydride

โœ Scribed by Oliver G. Ludwig; Robert G. Parr

Book ID
104791486
Publisher
Springer
Year
1966
Tongue
English
Weight
320 KB
Volume
5
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES

Perturbation theory for configuration in
Perturbation theory for configuration interaction wavefunctions
โœ W.H. Adams ๐Ÿ“‚ Article ๐Ÿ“… 1971 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 361 KB

A zerotb order hamiltonian is given for configuration interaction nravefunctions constructed from orbitals which may be open shell Hartree-Fock orbitals, multiconfiguration eelf consistent fieId orbitaIs, or eome other kind of orbitals which are eigenfunctions of a common one-electron hamiltonian. T

Local energy calculations employing impo
Local energy calculations employing importance sampling: Positronium hydride wavefunctions as severe tests of the method
โœ S. Ehrenson ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 610 KB

Ground+tate positronium hydride wavefunctions are generated by least squares solutions of the Schriidinger equation and compered with variationd results. Effects on wavefunction quality of configuration space umpling Wavefunction calculation by local energy methods and of low-lying virtual excited s