On the possibility to use non-orthogonal orbitals for Density Matrix Renormalization Group calculations in Quantum Chemistry

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dc.creatorMitrushenkov, A. O.
dc.creatorFano, Guido
dc.creatorLinguerri, Roberto
dc.creatorPalmieri, Paolo
dc.date2003-06-03
dc.date.accessioned2026-07-07T02:51:39Z
dc.date.available2026-07-07T02:51:39Z
dc.descriptionThe generalization of Density Matrix Renormalization Group (DMRG) approach as implemented in quantum chemistry, to the case of non-orthogonal orbitals is carefully analyzed. This generalization is attractive from the physical point of view since it allows a better localization of the orbitals. The possible implementation difficulties and drawbacks are estimated. General formulae for hamiltonian matrix elements useful in DMRG calculations are given.
dc.description14 pages
dc.identifierhttps://arxiv.org/abs/cond-mat/0306058
dc.identifierhttp://arxiv.org/abs/cond-mat/0306058
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/21540
dc.subjectStrongly Correlated Electrons
dc.titleOn the possibility to use non-orthogonal orbitals for Density Matrix Renormalization Group calculations in Quantum Chemistry
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