Low Temperature Physics: 40, 318 (2014); https://doi.org/10.1063/1.4869587
Fizika Nizkikh Temperatur: Volume 40, Number 4 (April 2014), p. 414-419    ( to contents , go back )

Natural orbital functional theory and pairing correlation effects in electron momentum density

B. Barbiellini

Department of Physics, Northeastern University, Boston MA 02115, USA
E-mail: B.Amidei@neu.edu
pos Анотація:

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;
PACS: 71.15.–m Methods of electronic structure calculations;
PACS: 74.72.–h Cuprate superconductors;
PACS: 71.10.Ca Electron gas, Fermi gas.

Key words: Fermi surface, pairing correlation, electron momentum density, many-electron systems.

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