Calculation of two-center exchange integrals with STOs using Möubius transformations
Article first published online: 21 SEP 2004
Copyright © 1994 John Wiley & Sons, Inc.
International Journal of Quantum Chemistry
Volume 49, Issue 1, pages 11–19, 5 January 1994
How to Cite
López, R. and Ramírez, G. (1994), Calculation of two-center exchange integrals with STOs using Möubius transformations. Int. J. Quantum Chem., 49: 11–19. doi: 10.1002/qua.560490103
- Issue published online: 21 SEP 2004
- Article first published online: 21 SEP 2004
- Manuscript Accepted: 9 AUG 1993
- Manuscript Revised: 24 MAY 1993
- Manuscript Received: 31 MAR 1993
The Möbius transformations recently proposed for integrating functions with a sharp peak close to a single boundary of integration (H.H.H. Homeier and E.O. Steinborn, J. Comput. Phys. 87, 61, 1990) are used to extend Ruedenberg's algorithm for two-center exchange integrals to cases with very diffuse STOs. © 1994 John Wiley & Sons, Inc.