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Computation of electron repulsion integrals involving contracted Gaussian basis functions

โœ Scribed by John A Pople; Warren J Hehre


Book ID
107788541
Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
460 KB
Volume
27
Category
Article
ISSN
0021-9991

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Analytical solutions to the Yukawa-like screened Coulomb nuclear attraction and electron repulsion molecular basic integrals, as well as to the basic integrals required to compute the virial coefficient, over Gaussian basis functions, are derived and cast into a practical closed form, suitable to in