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Valence configuration interaction calculations for atomic scattering

✍ Scribed by H. H. Michels; F. E. Harris

Book ID
104577646
Publisher
John Wiley and Sons
Year
1969
Tongue
English
Weight
36 KB
Volume
3
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

Valence type vacant orbitals for configu
Valence type vacant orbitals for configuration interaction calculations
✍ Suehiro Iwata πŸ“‚ Article πŸ“… 1981 πŸ› Elsevier Science 🌐 English βš– 427 KB

A method 1s proposed to &.tel-mme the valence type vacant orbttals, which are suitable for CI calculauons and Toor the UUti guess orbrtals m MC SCF calcularions The method ~+a applied to calculae. the ionization energies cd $erles of molecules and to draw the potenhal energy curves of various states

Accurate basis sets for atomic configura
Accurate basis sets for atomic configuration interaction calculations
✍ Ying Ming Poon πŸ“‚ Article πŸ“… 1983 πŸ› Elsevier Science 🌐 English βš– 312 KB

Hartree-Fock-Slater program and a compatible box potential program are developed to generate complete basis sets for configuration interaction calculations using many-body perturbation theory. Several problems in previous methods are remedied. Examples are given for Pr 3~and Np3Δ©ons. Good orthogonal

A diagrammatic valence bond method for c
A diagrammatic valence bond method for configuration interaction calculations in atoms and molecules
✍ S. Ramasesha πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 321 KB

A diagrammatic valence bond method based on Rumer-Pauling rules for configuration interaction calculations is described. The advantages of this method are that it is simple and flexible and is expected to be computationally efficient as the basis functions can be coded as increasing integers. Evalua

Relativistic configuration interaction c
Relativistic configuration interaction calculations for open-shell atomic systems
✍ Konrad Koc; Yasuyuki Ishikawa; Takashi Kagawa πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 621 KB

A relativistic configuration interaction method, which can handle a general class of open-shell multiplets as the reference configurations, has been developed by combining the open-shell matrix Dirac-Fock self-consistent field algorithm implemented by Koc and Ishikawa [Phys. Rev. A 49 ( 1994) 7941 w