Intracule functional models. V. Recurrence relations for two-electron integrals in position and momentum space
Date
2011
Authors
Hollett, Joshua
Gill, Peter
Journal Title
Journal ISSN
Volume Title
Publisher
Royal Society of Chemistry
Abstract
The approach used by Ahlrichs [Phys. Chem. Chem. Phys., 2006, 8, 3072] to derive the Obara-Saika recurrence relation (RR) for two-electron integrals over Gaussian basis functions, is used to derive an 18-term RR for six-dimensional integrals in phase space and 8-term RRs for three-dimensional integrals in position or momentum space. The 18-term RR reduces to a 5-term RR in the special cases of Dot and Posmom intracule integrals in Fourier space. We use these RRs to show explicitly how to construct Position, Momentum, Omega, Dot and Posmom intracule integrals recursively.
Description
Keywords
Citation
Collections
Source
Physical Chemistry Chemical Physics
Type
Journal article
Book Title
Entity type
Access Statement
License Rights
Restricted until
2037-12-31