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Formulation and implementation of the relativistic Fock-space coupled cluster method for molecules

✍ Scribed by Visscher, Lucas; Eliav, Ephraim; Kaldor, Uzi


Book ID
120184932
Publisher
American Institute of Physics
Year
2001
Tongue
English
Weight
349 KB
Volume
115
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES


On multiple solutions of the Fock-space
✍ Leszek Meissner πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 534 KB

Intermediate Hamiltonian techniques are used to investigate the problem of multiple solutions of the Fock-space coupled-cluster methods. Two intermediate Hamiitonian schemes are presented, based upon similarity transformations that unlike the wave operator formalism allow for following the complete

The relativistic four-component coupled
✍ Ephraim Eliav; Uzi Kaldor πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 279 KB

The relativistic coupled cluster method is applied to SnH4. Starting from Dirac-Fock four-component spinors, correlation is incorporated at the second-order perturbation theory and coupled cluster singles and doubles levels. Eighteen electrons are correlated to include any core polarization effects.