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Relativistic coupled cluster method

✍ Scribed by Malaya K. Nayak; Rajat K. Chaudhuri

Book ID
111627915
Publisher
Springer
Year
2005
Tongue
English
Weight
148 KB
Volume
37
Category
Article
ISSN
1434-6060

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πŸ“œ SIMILAR VOLUMES

Relativistic coupled-cluster calculation
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✍ Ephraim Ilyabaev; Uzi Kaldor πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 353 KB

Relativistic coupled-cluster calculations including single and double excitations are reported for the ground states of He, Be, Ne and Ar. The no-pair Dirac-Coulomb Hamiltonian is taken as the starting point. The reference state of the single determinant Dirac-Fock wavefunction is calculated in a ba

The relativistic four-component coupled
The relativistic four-component coupled cluster method for molecules: spectroscopic constants of SnH4
✍ 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.