AN EXPANSION METHOD FOR CALCULATING ATOMIC PROPERTIES. VII. THE CORRELATION ENERGIES OF THE LITHIUM SEQUENCE.
Scientific rept. no. 13, 1 Aug 64-31 Jul 66,
QUEEN'S UNIV BELFAST (NORTHERN IRELAND) DEPT OF APPLIED MATHEMATICS
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If the energy of an atomic system is expanded in inverse powers of the nuclear charge Z, the leading term of the correlation energy after degeneracies have been removed is a constant which can be expressed as a weighted sum of electron pair energies and certain non-additive terms. The pair energies may be obtained from direct two-electron variational calculations and the non-additive terms may be evaluated exactly. Calculations are carried out for the lithium doublet-S sequence with the result that the non-relativistic eigenvalues are given by EZ - 1.125Z sq. 1.02280521Z - 0.40814899 0 1Z. Author
- Atomic and Molecular Physics and Spectroscopy