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Calculation of molecular integrals in momentum space

✍ Scribed by I.R. Epstein

Publisher: Elsevier Science
Year: 1971
Tongue: English
Weight: 314 KB
Volume: 9
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(71)80167-7

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✦ Synopsis

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 uses for these integrals are suggested.

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