Now showing items 1-2 of 2

    • Describing strong correlations with mean-field approximations 

      Tsuchimochi, Takashi (2012-09-05)
      Strong electron correlations in electronic structure theory are purely quantum effects arising as a result of degeneracies in molecules and materials, and exhibit significantly different yet interesting characters than do ...
    • Projected Hartree–Fock theory 

      Jiménez-Hoyos, Carlos A.; Henderson, Thomas M.; Tsuchimochi, Takashi; Scuseria, Gustavo E. (2012)
      Projected Hartree–Fock (PHF) theory has a long history in quantum chemistry. PHF is here understood as the variational determination of an N-electron broken symmetry Slater determinant that minimizes the energy of a projected ...