Generalized nonorthogonal matrix elements: unifying Wick’s theorem and the Slater–Condon rules
Matrix elements between nonorthogonal Slater determinants represent an essential component of many emerging electronic structure methods. However, evaluating nonorthogonal matrix elements is conceptually and computationally harder than their orthogonal counterparts. While several different approache...
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| Format: | Journal article |
| Language: | English |
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AIP Publishing
2021
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