Improving Guess Geminals for the Geminal Mean Field Configuration Interaction Method

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dc.creatorCassam-Chenaï, Patrick
dc.creatorGranucci, Giovanni
dc.date2007-10-10
dc.date.accessioned2026-07-07T08:47:06Z
dc.date.available2026-07-07T08:47:06Z
dc.descriptionThe purpose of this letter is to show that a rotation of Hartree-Fock canonical orbitals which minimizes the lowest eigenvalues of a configuration interaction calculation limited to the mono-excitated configurations from a given orbital allows one to construct a better starting guess for the geminal mean field configuration interaction method.
dc.identifierhttps://arxiv.org/abs/0710.2094
dc.identifierhttp://arxiv.org/abs/0710.2094
dc.identifierChemical Physics Letters 450 (2007) 151
dc.identifierdoi:10.1016/j.cplett.2007.10.107
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/143479
dc.subjectChemical Physics
dc.subjectQuantum Physics
dc.titleImproving Guess Geminals for the Geminal Mean Field Configuration Interaction Method
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