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A new implementation of the full CCSDT model for molecular electronic structure

✍ Scribed by Gustavo E. Scuseria; Henry F. Schaefer III

Book ID
107733039
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
467 KB
Volume
152
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

Semiempirical implementation of strictly
Semiempirical implementation of strictly localized geminals for analysis of molecular electronic structure
✍ A. M. Tokmachev; A. L. TchougrΓ©eff πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 213 KB πŸ‘ 1 views

## Abstract Approximate electronic trial wave function taken as the antisymmetrized product of strictly localized geminals (APSLG) is implemented for semiempirical analysis of molecular electronic structure of β€œorganic” compounds and for calculations of their heats of formation. This resulted in an