Calculation in K space of integrals arising in the theory of Van Der Waals forces

✍ Scribed by P. Malinowski; A. C. Tanner; K. F. Lee; B. Linder

• Publisher: John Wiley and Sons
• Year: 1982
• Tongue: English
• Weight: 401 KB
• Volume: 21
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.560210409

✦ Synopsis

Abstract

We derive basic integrals needed for calculation of matrix elements of the Fourier transformed Coulomb operator and the Fourier transformed square of the Coulomb operator between 1__s__ Slater functions. These integrals arise, for example, in the momentum space (k space) susceptibility formulation of van der Waals forces. The advantages of integration in k space (rather than r space) are that in k space there is a drastic reduction in the number of integration variables, and contour integration can be used. The derivation is completely analytic and the auxiliary integrals are all obtained in closed form.