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.
Original language | English |
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Article number | 074322 |
Journal | Journal of Chemical Physics |
Volume | 123 |
Issue number | 7 |
DOIs | |
Publication status | Published - 2005 |
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry