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Ground-state energies of closed-shell atomsSponsored by the Polish Academy of Sciences, Contract No. MR.I.5. (1985)

Karwowski, J. ; Styszyński, J.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 28 (1985), S. 27-37

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: Ground-state energies of He, Be, and Ne isoelectronic series have been calculated. The Dirac-Hartree-Fock energy values have been corrected by adding Breit, vacuum polarization, self-energy, nuclear mass, and electron correlation corrections. The resulting energies are compared with the experimental values. As a result, an estimate of the correlation-relativistic cross-term energy is obtained. The effect, for large-Z atoms, proves to be quite substantial.

Additional Material: 2 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560280104

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