Abstract
Wilson’s numerical renormalization group treatment of a correlated system requires the existence of an extended range of energy scales in the hamiltonian. The presence of such an energy scale hierarchy is often not evident. We argue here that the hierarchy of scales in the correlation energy can be brought about by a suitable transformation of the single particle orbitals. We formulate a variational procedure to select the optimal orbitals for a general hamiltonian. Our method is a natural generalization of the Hartree-Fock theory with systematic inclusion of correlation effects. It is therefore completely general applicable to real systems such as atoms and molecules. As a test calculation, the method is implemented for a exactly solvable model. Comparing to the exact spectrum, we demonstrated, for the low energy spectrum, a systematic improvement of our method over that of Hartree-Fock theory.
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Liang, S. (1997). Divide-and-Conquer Treatments of Electron Correlations. In: Landau, D.P., Mon, K.K., SchĂĽttler, HB. (eds) Computer Simulation Studies in Condensed-Matter Physics IX. Springer Proceedings in Physics, vol 82. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-60597-0_7
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DOI: https://doi.org/10.1007/978-3-642-60597-0_7
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