Low Temperature Physics: 40, 318 (2014); https://doi.org/10.1063/1.4869587
Физика Низких Температур: Том 40, Выпуск 4 (Апрель 2014), c. 414-419 ( к оглавлению , назад )
Natural orbital functional theory and pairing correlation effects in electron momentum density
Department of Physics, Northeastern University, Boston MA 02115, USA
Received October 31, 2013
Occupation numbers of natural orbitals capture the physics of strong electron correlations in momentum space. A natural orbital density functional theory based on the antisymmetrized geminal product provides these occupation numbers and the corresponding electron momentum density. A practical implementation of this theory approximates the natural orbitals by the Kohn–Sham orbitals and uses a mean-field approach to estimate pairing amplitudes leading to corrections for the independent particle model. The method is applied to weakly doped La2CuO4.
PACS: 71.10.–w Theories and models of many-electron systems;
Ключевые слова: Fermi surface, pairing correlation, electron momentum density, many-electron systems.