Relativistic coupled cluster theory based on the no-pair Dirac-Coulomb-Breit Hamiltonian: Relativistic pair correlation energies of the Xe atom
Conference
·
OSTI ID:107044
- Tel Aviv Univ. (Israel)
- Univ. of Puerto Rico, San Juan (Puerto Rico)
Relativistic pair correlation energies of Xe were computed by employing a recently developed relativistic coupled cluster theory based on the no-pair Dirac-Coulomb-Breit Hamiltonian. The matrix Dirac-Fock-Breit SCF and relativistic coupled cluster calculations were performed by means of expansion in basis sets of well-tempered Gaussian spinors. A detailed study of the pair correlation energies in Xe is performed, in order to investigate the effects of the low-frequency Breit interaction on the correlation energies of Xe. Nonadditivity of correlation and relativistic (particularly Breit) effects is discussed.
- OSTI ID:
- 107044
- Report Number(s):
- CONF-9402143--; CNN: Grant PHY-9008627
- Country of Publication:
- United States
- Language:
- English
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