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Ground‐state energies of closed‐shell atoms
Author(s) -
Karwowski J.,
Styszyński J.
Publication year - 1985
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560280104
Subject(s) - atomic physics , ground state , electronic correlation , electron , polarization (electrochemistry) , physics , open shell , vacuum polarization , hartree–fock method , chemistry , series (stratigraphy) , quantum electrodynamics , nuclear physics , paleontology , biology
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.