• Title of article

    Multi-partitioning Mّller-Plesset perturbation theory. A state-selective formulation

  • Author/Authors

    Zaitsevskii، نويسنده , , Andréi and Malrieu، نويسنده , , Jean-Paul، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1996
  • Pages
    7
  • From page
    366
  • To page
    372
  • Abstract
    A state-selective (intermediate Hamiltonian) formulation of the recently proposed multi-partitioning Mّller-Plesset perturbation theory is presented. The novel approach offers the possibility to combine the decontracted treatment of the reference space parts of wavefunctions with numerical stability in the presence of intruder states and strict separability at second order. Test applications to molecular electronic structure calculations are considered.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1996
  • Journal title
    Chemical Physics Letters
  • Record number

    1776098