Size-intensive decomposition of orbital energy denominators
Journal of Chemical Physics, ISSN: 0021-9606, Vol: 113, Issue: 2, Page: 508-513
2000
- 44Citations
- 24Captures
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Article Description
In this study, the orbital energy denominators entering the expressions for perturbation theory based triple excitation methods were Cholesky decomposed. The simple analytical expression for the Cholesky vectors made it possible to evaluate the relevant parts of the vectors whenever needed in a computational implementation.
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