Optimized Wannier Functions for Hubbard Chain
J. Kurzyk a, W. Wójcik a and J. Spałek b
a Instytut Fizyki Politechniki Krakowskiej, Podchorążych 1, 30-084 Kraków, Poland
b Instytut Fizyki im. M. Smoluchowskiego, Uniwersytet Jagielloński, Reymonta 4, 30-059 Kraków, Poland
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One-dimensional atomic chain with a variable-range hopping is described within the extended Hubbard model. The Gutzwiller-ansatz approximation is used to determine the optimized single-particle (Wannier) wave functions in the correlated state. Hopping integral up to the third neighbors is taken into account and the results are compared with those for the infinite hopping range. Ground state energy of the system is compared with that making use of the rigorous Lieb-Wu solution with the optimized wave functions. The evolution of the properties as a function of interatomic distance is discussed.
DOI: 10.12693/APhysPolA.115.114
PACS numbers: 71.27.+a, 71.30.+h, 71.10.Fd