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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.