Orbital self-interaction in Hartree-Fock and density functional theories
dc.contributor.author | Dobson, J. F. | en_US |
dc.contributor.author | Rose, James H. | en_US |
dc.date.accessioned | 2006-12-19T19:05:51Z | |
dc.date.available | 2006-12-19T19:05:51Z | |
dc.date.issued | 1982-11-30 | en_US |
dc.identifier.citation | 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> | en_US |
dc.identifier.issn | 0022-3719 | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/48997 | |
dc.description.abstract | A 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. | en_US |
dc.format.extent | 3118 bytes | |
dc.format.extent | 288406 bytes | |
dc.format.mimetype | text/plain | |
dc.format.mimetype | application/pdf | |
dc.language.iso | en_US | |
dc.publisher | IOP Publishing Ltd | en_US |
dc.title | Orbital self-interaction in Hartree-Fock and density functional theories | en_US |
dc.type | Article | en_US |
dc.subject.hlbsecondlevel | Physics | en_US |
dc.subject.hlbtoplevel | Science | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationother | Phys. Dept., Univ. of Michigan, Ann Arbor, MI, USA | en_US |
dc.contributor.affiliationother | Phys. Dept., Univ. of Michigan, Ann Arbor, MI, USA | en_US |
dc.contributor.affiliationumcampus | Ann Arbor | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/48997/2/jcv15i33pL1183.pdf | en_US |
dc.identifier.doi | http://dx.doi.org/10.1088/0022-3719/15/33/002 | en_US |
dc.identifier.source | Journal of Physics C: Solid State Physics. | en_US |
dc.owningcollname | Interdisciplinary and Peer-Reviewed |
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