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Calculation of Molecular Configuration Integrals

✍ Scribed by Chang, Chia-En; Potter, Michael J.; Gilson, Michael K.


Book ID
120561394
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
138 KB
Volume
107
Category
Article
ISSN
0022-3654

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πŸ“œ SIMILAR VOLUMES


Calculation of molecular integrals in mo
✍ I.R. Epstein πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 314 KB

Integrals over Slater atomic orbitais of the type ~&Jr) p; @b(~) d3r, where pi is a component of the linear momentum operaror, may be evaluated analytically by transforming the orbitak to momentum space. The procedure is a0 application of the Fourier convolution theorem. General farmdae are @en and