Variational localized‐site cluster expansions. XI. Coherent state derivation of effective heisenberg hamiltonians | Zendy

Klein D. J. | Zendy; Seitz W. A. | Zendy; GarciaBach M. A. | Zendy; Picone J. M. | Zendy; Foyt D. C. | Zendy

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Variational localized‐site cluster expansions. XI. Coherent state derivation of effective heisenberg hamiltonians

Author(s) -

Klein D. J.,

Seitz W. A.,

GarciaBach M. A.,

Picone J. M.,

Foyt D. C.

Publication year - 2009

Publication title -

international journal of quantum chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.484

H-Index - 105

eISSN - 1097-461X

pISSN - 0020-7608

DOI - 10.1002/qua.560240860

Subject(s) - hamiltonian (control theory) , coupled cluster , quantum mechanics , physics , valence bond theory , heisenberg model , valence (chemistry) , mathematical physics , mathematics , molecule , ferromagnetism , mathematical optimization , molecular orbital

A variational derivation of Heisenberg or valence‐bond models from a Hubbard (or Pariser‐Parr‐Pople) Hamiltonian is described. Calculations within a low‐order approximation are carried out for linear‐chain and graphite lattices. The results seem to be quite accurate with little computational effort when compared with other approaches.

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