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Alternative perturbation theories for triple excitations in coupled-cluster theory

โœ Scribed by Taube, Andrew G.

Book ID
111916767
Publisher
Taylor and Francis Group
Year
2010
Tongue
English
Weight
245 KB
Volume
108
Category
Article
ISSN
0026-8976

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๐Ÿ“œ SIMILAR VOLUMES

An alternative expression for the pertur
An alternative expression for the perturbative triples correction to Brueckner coupled-cluster doubles theory
โœ Gustavo E. Scuseria ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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

Perturbative corrections to account for
Perturbative corrections to account for triple excitations in closed and open shell coupled cluster theories
โœ Miles J.O. Deegan; Peter J. Knowles ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 541 KB

The application of the coupled cluster method restricted to single and double excitations (CCSD) to a non-Hat-tree-Fock determinantal reference wavefunction is examined, with particular emphasis on the case of spin-restricted open shell reference states. By considering the perturbation expansions of