Matrix elements of unitary group generators in many-fermion correlation problem. III. Green-Gould approach
| Autor: | Josef Paldus |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
010304 chemical physics
Applied Mathematics 010102 general mathematics General Chemistry Fermion Configuration interaction 01 natural sciences Correlation Algebra Formalism (philosophy of mathematics) Matrix (mathematics) Coupled cluster Unitary group 0103 physical sciences 0101 mathematics Mathematics |
| Zdroj: | Journal of Mathematical Chemistry. 59:72-118 |
| ISSN: | 1572-8897 0259-9791 |
| DOI: | 10.1007/s10910-020-01174-7 |
| Popis: | The third part of our survey series concerning the evaluation of matrix elements (MEs) of the unitary group generators and of their products in the electronic Gel’fand–Tsetlin basis of the two-column irreps of U(n)—which are essential in the unitary group approach (UGA) to the many-electron correlation problem as handled by the configuration interaction (CI) and the coupled cluster (CC) approaches—relies on what we refer to as the Green-Gould (G-G) approach. In addition to the CI and CC methods, the G-G formalism proved to be very helpful in a number of other tasks, particularly in handling of the spin-dependent operators, the density matrices, or partitioned basis sets adapted to a chosen group chain. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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