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Methods for efficient evaluation of integrals for Gaussian type basis sets

✍ Scribed by Reinhart Ahlrichs

Publisher
Springer
Year
1974
Tongue
English
Weight
611 KB
Volume
33
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

On the use of Gaussian shell type basis
On the use of Gaussian shell type basis orbitals for single-center expansions. I. Evaluation of integrals
✍ R. D. Poshusta; V. P. Agrawal; W. D. Moseley πŸ“‚ Article πŸ“… 1975 πŸ› John Wiley and Sons 🌐 English βš– 472 KB

## Abstract Formulas are derived for all Hamiltonian integrals required for molecular computations using a novel basis for single‐center expansions. The basis orbitals depend exponentially upon Ξ±(__r__ βˆ’ ρ)^2^ where __r__ and ρ are the distance from center to electron and to a variationally scaled