Published April 1994
| Version v1
Journal article
Convergence accelerators in the computation of molecular integrals over Slater-type basis functions in the two-range one-center expansion method
Creators
- 1. Laboratoire de Chimie Theorique, Universite de Nancy I, Boite Postale 239, 54506 Vandoeuvre-Les-Nancy (France)
Description
The so-called nonlinear transformations may be of substantial help in many practical problems including the so-called multicenter integrals. In this work Wynn's epsilon algorithm and the Levin's u transformation have been used to improve the convergence of the series representation of three-center two-electron integrals obtained via the so-called two-range one-center expansion method
Additional details
Publishing Information
- Journal Title
- Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
- Journal Volume
- 49
- Journal Issue
- 4
- Journal Page Range
- p. 3462-3474.
- ISSN
- 1063-651X
- CODEN
- PLEEE8
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 25053918
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- CALCULATION METHODS; COMPUTERIZED SIMULATION; CONVERGENCE; ELECTRONIC STRUCTURE; INTEGRALS; SLATER METHOD; WAVE FUNCTIONS
- Descriptors DEC
- FUNCTIONS; SIMULATION