Učitavanje...
Contracted auxiliary Gaussian basis integral and derivative evaluation
The rapid evaluation of 2-center Coulomb and overlap integrals between contracted auxiliary solid harmonic Gaussian functions is examined. Integral expressions are derived from the application of Hobson’s theorem and Dunlap’s product and differentiation rules of the spherical tensor gradient operato...
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| Glavni autori: | , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2008
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| Teme: | |
| Online pristup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2735875/ https://ncbi.nlm.nih.gov/pubmed/18282025 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2821745 |
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