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
Evaluation of electron repulsion integrals over gaussian lobe basis functions
โ Scribed by Stephen T Elbert; Ernest R Davidson
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 180 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0021-9991
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