Orbital self-interaction in Hartree-Fock and density functional theories
Dobson, J. F.; Rose, James H.
Dobson, J F; Rose, J H (1982). "Orbital self-interaction in Hartree-Fock and density functional theories." Journal of Physics C: Solid State Physics. 15(33): L1183-L1186. <http://hdl.handle.net/2027.42/48997>
AbstractA synthesis of Hartree-Fock and spin density functional theories yields a fully correlated many-electron energy minimisation method which avoids orbital self-interaction without requiring the use of localised orbitals. The new method is designed primarily for use with extended systems and may facilitate calculation of the band structure of semiconductors and insulators.
IOP Publishing Ltd
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