𝔖 Bobbio Scriptorium
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Malleable software for ab-initio quantum chemistry

✍ Scribed by Carlos F. Bunge

Book ID
103506840
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
656 KB
Volume
13
Category
Article
ISSN
0097-8485

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πŸ“œ SIMILAR VOLUMES

Charge-conserving integral approximation
Charge-conserving integral approximations for ab initio quantum chemistry
✍ Douglas L. Wilhite; Robert N. Euwema πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 326 KB

Two charge-conserving integral approximations are presented, one for nqlecting and another for approximating the less important integrals that arise in quantum chemicsl calculations on molecular systems. Results are presented for test calculations on ethylene and glycine.