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Correlation energies for He isoelectronic sequence with Z=2-116 from four-component relativistic configuration
Yoshihiro Watanabe1, Hiroshi Tatewaki
1Department of Chemistry, Faculty of Sciences, Kyushu University, Hakozaki, Fukuoka 812-8581, Japan.
Abstract:
The relativistic correlation energies (CEs) for the He isoelectronic sequence from 2He to 116Uuh were investigated using configuration-interaction (CI) calculations. We used a large universal-type Gaussian basis set, which gives accurate Dirac-Fock total energies for the ions under consideration. In contrast to nonrelativistic CEs, the relativistic CEs decrease monotonically with increasing nuclear charge, but the p-, d-, and f-partial CEs have a hump like the relativistic Hylleraas CI.
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