Study of Molecular Integrals. I. Two-Center Exchange Integrals
- 1 October 1960
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 33 (4) , 1015-1021
- https://doi.org/10.1063/1.1731325
Abstract
The evaluation of the two‐center two‐electron exchange integrals using prolate spheroidal coordinates and spherical coordinates is discussed. Estimates for the convergence rates of the infinite series which arise when both coordinate systems are used to evaluate the integrals are obtained.Keywords
This publication has 4 references indexed in Scilit:
- Study of Two-Center Integrals Useful in Calculations on Molecular Structure. IV. The Auxiliary Functions Cαβγδε(ρa,ρb) for α≥0The Journal of Chemical Physics, 1956
- Study of Two-Center Integrals Useful in Calculations on Molecular Structure. III. A Unified Treatment of the Hybrid, Coulomb, and One-Electron IntegralsThe Journal of Chemical Physics, 1956
- A Study of Two-Center Integrals Useful in Calculations on Molecular Structure. II. The Two-Center Exchange IntegralsThe Journal of Chemical Physics, 1951
- A Study of Two-Center Integrals Useful in Calculations on Molecular Structure. IThe Journal of Chemical Physics, 1951