Calculation of electric multipole moments of diatomics in the basis of slater atomic orbitals
β Scribed by I. I. Guseinov; T. M. Mursalov; F. S. Sadykhov; V. T. Aliev
- Book ID
- 104924773
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1989
- Tongue
- English
- Weight
- 60 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0022-4766
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π SIMILAR VOLUMES
The analytical expressions are derived for the magnetic multipole moment integrals in terms of electric multipole moment integrals for which the closed formulas through the overlap integrals are obtained. By the use of the derived expressions in terms of overlap integrals, the electric and magnetic
The organization of a computer code to compute transition moments between states described in different orbital basis sets (a nonorthogonal transition moment) is described. The code is organized to minimize redundant work and allow efficient threshold checking. Three sample calculations are presente
## Abstract The performance of Atomic Natural Orbital (ANO) basis sets for calculations involving nonempirical core pseudopotentials has been studied by comparing the results for atomic and molecular nitrogen obtained using contracted ANO basis sets with those obtained using both the primitive set