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Optimizing basis functions for calculating molecules by SCF methods

✍ Scribed by A. I. Dement'ev; Yu. G. Abashkin

Book ID
112378317
Publisher
Springer
Year
1984
Tongue
English
Weight
442 KB
Volume
20
Category
Article
ISSN
0040-5760

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πŸ“œ SIMILAR VOLUMES

Hydrogenic orbitals as minimum-basis fun
Hydrogenic orbitals as minimum-basis functions for SCF calculations
✍ Donald W. Boerth; F. A. Van-Catledge πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 845 KB

## Abstract The orbital approximation that polyelectronic atoms can be qualitatively described by using hydrogenlike orbitals was tested quantitatively. Hydrogenic atomic orbitals (HTO's) were investigated as best‐atom minimum‐basis set functions and were compared to best‐atom Slater orbitals (STO'