Abstract
A two-electron integral which commonly occurs in molecular calculations is evaluated numerically using the different methods of Boys and Conroy and the results are discussed.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Boys,S.F., Rajagopal,P.: Adv. Quantum Chem. 2, 1 (1965)
Boys,S.F., Handy,N.C.: Proc. Roy. Soc. (London) A311, 309 (1969)
Conroy,H.: J. Chem. Phys. 47, 5307 (1967)
Boys,S.F., Cook,G.B.: Rev. Mod. Phys. 32, 285 (1960)
Author information
Authors and Affiliations
Additional information
This paper was presented during the session on numerical integration methods for molecules of the 1970 Quantum Theory Conference in Nottingham. It has been revised in the light of the interesting discussion which followed.
Rights and permissions
About this article
Cite this article
Rees, D., Moore, D.J. & Taylor, P.R. The numerical integration of a molecular integral using two different techniques. Theoret. Chim. Acta 31, 183–188 (1973). https://doi.org/10.1007/BF00526506
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF00526506