Lieb-Wu Solution, Gutzwiller-Wave-Function, and Gutzwiller-Ansatz Approximations with Adjustable Single-Particle Wave Function for the Hubbard Chain

J. Kurzyka, J. Spałek b and W. Wójcik a aInstytut Fizyki, Politechnika Krakowska, Podchorążych 1, 30-084 Kraków, Poland bInstytut Fizyki im. Mariana Smoluchowskiego, Uniwersytet Jagielloński, Reymonta 4, 30-059 Kraków, Poland

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Received: 14 09 2006;

The optimized single-particle wave functions contained in the parameters of the Hubbard model (t and U) were determined for an infinite atomic chain. In effect, the electronic properties of the chain as a function of interatomic distance R were obtained and compared for the Lieb-Wu exact solution, the Gutzwiller-wave-function approximation, and the Gutzwiller-ansatz case. The ground state energy and other characteristics for the infinite chain were also compared with those obtained earlier for a nanoscopic chain within the exact diagonalization combined with an ab initio adjustment of the single-particle wave functions in the correlated state (exact diagonalization combined with an ab initio method). For the sake of completeness, we briefly characterize also each of the solutions. Our approach completes the Lieb-Wu solution, as it provides the system electronic properties evolution as a function of physically controlable parameter - the interatomic distance.

DOI: 10.12693/APhysPolA.111.603 PACS numbers: 71.27.+a, 71.30.+h, 71.10.Fd