• Title of article

    The sharp-G N-representability condition

  • Author/Authors

    Johnson، نويسنده , , Paul A. and Ayers، نويسنده , , Paul W. and Verstichel، نويسنده , , Brecht and Van Neck، نويسنده , , Dimitri and Aggelen، نويسنده , , Helen van، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2013
  • Pages
    5
  • From page
    32
  • To page
    36
  • Abstract
    The G-condition for the N-representability of the two-electron reduced density matrix is tightened by replacing the semidefiniteness constraint with the true upper and lower bounds of the G-type Hamiltonian operator. The lower bound is not easily computed (in contrast to the sharp P- and Q-conditions), but maps onto a well-known integer programming problem. The sharp-G, sharp-P, and sharp-Q conditions are just three members of a much broader class of conditions based on exactly solvable model Hamiltonians.
  • Keywords
    reduced density matrix , N-representability conditions , Exactly solvable model Hamiltonians
  • Journal title
    Computational and Theoretical Chemistry
  • Serial Year
    2013
  • Journal title
    Computational and Theoretical Chemistry
  • Record number

    2286022