MCSCF-DFT based on an interacting reference system

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dc.creatorYamanaka, Shusuke
dc.creatorKusakabe, Koichi
dc.creatorNakata, Kazuto
dc.creatorTakada, Toshikazu
dc.creatorYamaguchi, Kizashi
dc.date2005-08-18
dc.date.accessioned2026-07-07T05:55:42Z
dc.date.available2026-07-07T05:55:42Z
dc.descriptionWe present the MCSCF version of density functional theory. Two sets of equations, which correspond to the CI and orbital relaxation respectively, are derived. An important feature is that the correlation potential of DFT for CI wavefunction and that for orbitals are different to each other. These relations ensure that a density yielded by a effective MCSCF solution also satisfies the Euler equation of DFT
dc.identifierhttps://arxiv.org/abs/physics/0508121
dc.identifierhttp://arxiv.org/abs/physics/0508121
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/87333
dc.subjectChemical Physics
dc.titleMCSCF-DFT based on an interacting reference system
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