Theory of strongly correlated f and d-electron systems. I. Exact Hamiltonian, Hubbard-Anderson models and perturbation theory near atomic limit within non-orthogonal basis set

dc.creatorSandalov, Igor
dc.creatorJohansson, Borje
dc.creatorEriksson, Olle
dc.date2000-11-15
dc.date.accessioned2026-07-25T14:13:13Z
dc.descriptionThe theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is transformed into a correlated form. In order to elucidate the microscopical origin of the parameters of the periodical Hubbard-Anderson model (PHAM) the terms of the full Hamiltonian which have the operator structure of PHAM are separated. It is found that the matrix element of mixing interaction includes ion-configuration and number-of-particles dependent contributions from the Coulomb interaction. In a second step the diagram technique (DT) is developed by means of generalization of the Baym-Kadanoff method for correlated systems.
dc.description40 pages, 6 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0011259
dc.identifierhttp://arxiv.org/abs/cond-mat/0011259
dc.identifierInt. J Quantum Chem. 94 (3), 113 (2003)
dc.identifierdoi:10.1002/qua.10599
dc.identifier.urihttps://dspace.dare.co.zw/handle/123456789/23994
dc.subjectStrongly Correlated Electrons
dc.titleTheory of strongly correlated f and d-electron systems. I. Exact Hamiltonian, Hubbard-Anderson models and perturbation theory near atomic limit within non-orthogonal basis set
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