期刊
EUROPHYSICS LETTERS
卷 72, 期 4, 页码 611-617出版社
EDP SCIENCES S A
DOI: 10.1209/epl/i2005-10285-9
关键词
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So far, density functional theory has been lacking a deeper theoretical basis of orbital polarization energies. A systematic derivation of orbital polarization corrections from four-current density functional theory is presented. Numerical results for orbital polarization energies of 3d and 4f ions are given. The results compare nicely with frequently employed empirical orbital polarization corrections.
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