Fourier transform general formula for systematic potentials

• Published in: Journal of computational chemistry Vol. 33; no. 9; pp. 924 - 936
• Main Author: Ishida, Kazuhiro
• Format: Journal Article
• Language: English
• Published: Hoboken Wiley Subscription Services, Inc., A Wiley Company 05.04.2012; Wiley Subscription Services, Inc
• Subjects: Fourier transform; Fourier transforms; gauge-including atomic orbital; Integrals; Mathematical functions; molecular integral; Molecular physics; slater-type orbitals; systematic potentials

For calculating molecular integrals of systematic potentials, a three‐dimensional (3D) Fourier transform general formula can be derived, by the use of the Abel summation method. The present general formula contains all 3D Fourier transform formulas which are well known as Bethe–Salpeter formulas (Be...