Block-diagonalization problem for the common hückel-type hamiltonian matrix of alternant hydrocarbons and its nonperturbative solution

International Journal of Quantum Chemistry

Volumn 101, Issue 3, 2005, Pages 274-282

  Gineityte, V ^a  

^a VILNIUS UNIVERSITY   (Lithuania)

Author keywords

Alternant hydrocarbons; Block diagonalization problem; Brillouin theorem; Noncanonical MOs; One electron density matrix

Indexed keywords

BENZENE; BUTADIENE; ELECTRONIC STRUCTURE; HAMILTONIANS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PARAMAGNETIC RESONANCE; PERTURBATION TECHNIQUES; QUANTUM THEORY;

ALTERNATE HYDROCARBONS; BLOCK-DIAGONALIZATION PROBLEM; BRILLOUIN THEOREM; NONCANONICAL MOS; ONE-ELECTRON DENSITY MATRIX;

HYDROCARBONS;

EID: 11944265014     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20215     Document Type: Article

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