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Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

✍ Scribed by Hehre, W. J.

Book ID
120192150
Publisher
American Institute of Physics
Year
1969
Tongue
English
Weight
747 KB
Volume
51
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES

Exact Gaussian expansions of Slater-type
Exact Gaussian expansions of Slater-type atomic orbitals
✍ AndrΓ© Severo Pereira Gomes; RogΓ©rio Custodio πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 97 KB

## Abstract Three exact Slater‐type function (STO) integral transforms are presented. The STO‐NG basis set can then be developed using either only 1s Gaussian functions, the same Gaussian exponents for each shell, or using the first Gaussian of each symmetry. The use of any of these three alternati

Calculation of molecular momentum distri
Calculation of molecular momentum distributions using gaussian expansions of slater-type atomic orbitals
✍ Anthony C. Tanner; Irving R. Epstein πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 767 KB

Electronic momentum distributions and Compton profGes have been caieutated for a number of small pofyatomic molecuies in the STONG (N=3,4,5,6) approsimation. The gaussian expansions converge rapidly and give acceptable approximations to the corresponding ST0 values for most momentum space properties