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Computation of molecular integrals over partially generalized hermite-gaussian functions

✍ Scribed by Miljenko Primorac


Book ID
107788951
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
395 KB
Volume
84
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