Correlation Induced Optimization of Wave Functions: the Hubbard Chain |
| J. Spałek, R. Podsiadły Marian Smoluchowski Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Kraków, Poland and W. Wójcik |
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| We determine the explicit form of the single-particle Wannier functions {wi(r)} appearing in the parameters of quantum models. The method is illustrated on the example of the Hubbard chain, for which we derive the renormalized wave equation starting from a variational principle and by treating the system ground state energy as a functional of {wi(r)} and their derivatives. In this manner, the optimized basis is obtained only after the electronic correlations have been included in the rigorous Lieb-Wu solution. The results for the ground state energy and the size of the renormalized s-type orbitals, both as a function of interatomic distance, are calculated explicitly. |
| DOI: 10.12693/APhysPolA.97.381 PACS numbers: 71.10.Fd, 71.15.Fv, 31.25.Nj |