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The analytic gradient of the perturbative triplet excitations correction to the Brueckner doubles method

✍ Scribed by Rika Kobayashi; Roger D. Amos; Nicholas C. Handy


Book ID
103031123
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
589 KB
Volume
184
Category
Article
ISSN
0009-2614

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An alternative expression for the pertur
✍ Gustavo E. Scuseria πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 551 KB

The Brueckner model, which is a version of coupled-cluster theory where orbitals are optimized to yield zero single-excitation amplitudes (T,=O), naturally leads to the definition of an effective one-particle Hamiltonian F (or Brueckner Hamiltonian) which effectively accounts for correlation effects