Gutzwiller-Wave-Function, and Gutzwiller-Ansatz Approximations with Adjustable Single-Particle Wave Function for the

The optimized single-particle wave functions contained in the parame-ters 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 in-teratomic 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 infi-nite 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 diagonal-ization 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 evo-lution as a function of physically controlable parameter — the interatomic distance. PACS numbers: 71.27.+a, 71.30.+h, 71.10.Fd 1