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Modified Cartesian Gaussian functions and their use in quantum chemistry

✍ Scribed by A. Gołlębiewski; J. Mrozek

Publisher
John Wiley and Sons
Year
1973
Tongue
English
Weight
286 KB
Volume
7
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The general formula for the electron‐electron repulsion integral in the modified Cartesian Gaussian basis set derived in Ref. [1] is simplified. A general relation between the standard and modified CG functions is given. A possible use of the modified CG functions to quantum chemical calculations which include the correlation factor r~ij~^2^ is indicated.

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