Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 126, Issue 17, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.2733647
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The correlation energies (CEs) for the He-like ions are studied with the virtual-pair approximation (VPA) and with the no-virtual-pair approximation (NVPA). In contrast to the nonrelativistic CEs, the CEs calculated with relativity fell sharply as the nuclear charge Z increased, although the CE calculated with the NVPA was considerably lower than with the VPA for the heavier atoms. It is shown that CE calculated with a Hylleraas-type function implicitly includes the effects of the excitations into negative-energy states, which corresponds to the VPA. The present results verify that the strong dependence on Z of the CE of He-like ions is an essential effect of the relativity. (C) 2007 American Institute of Physics.
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