• Title of article

    The second-order reduced density matrix method and the two-dimensional Hubbard model

  • Author/Authors

    Anderson، نويسنده , , James S.M. and Nakata، نويسنده , , Maho and Igarashi، نويسنده , , Ryo and Fujisawa، نويسنده , , Katsuki and Yamashita، نويسنده , , Makoto، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2013
  • Pages
    6
  • From page
    22
  • To page
    27
  • Abstract
    The second-order reduced density matrix method (the RDM method) has performed well in determining energies and properties of atomic and molecular systems, achieving coupled-cluster singles and doubles with perturbative triples (CCSD (T)) accuracy without using the wave-function. One question that arises is how well does the RDM method perform with the same conditions that result in CCSD (T) accuracy in the strong correlation limit. The simplest and a theoretically important model for strongly correlated electronic systems is the Hubbard model. In this paper, we establish the utility of the RDM method when employing the P,Q,G,T1 and T2′ conditions in the two-dimensional Hubbard model case and we conduct a thorough study applying the 4 × 4 Hubbard model employing a coefficients. Within the Hubbard Hamiltonian we found that even in the intermediate setting, where U/t is between 4 and 10, the P, Q, G, T1 and T2′ conditions reproduced good ground state energies.
  • Keywords
    Variational Method , semidefinite programming , N-representability condition , Second-order reduced density matrix
  • Journal title
    Computational and Theoretical Chemistry
  • Serial Year
    2013
  • Journal title
    Computational and Theoretical Chemistry
  • Record number

    2286018