A new size extensive multireference perturbation theory

  • Chen F
  • Fan Z
  • 10


    Mendeley users who have this article in their library.
  • 7


    Citations of this article.


A new multireference perturbation series is derived based on the Rayleigh–Schrödinger perturbation theory. It is orbitally invariant. Its computational cost is comparable to the single reference Møller–Plesset perturbation theory. It is demonstrated numerically that the present multireference second- and third-order energies are size extensive by two types of supermolecules composed of H2 and BH monomers. Spectroscopic constants of

Author-supplied keywords

  • Møller-Plesset perturbation theory
  • Rayleigh-Schrödinger perturbation theory
  • multireference perturbation theory
  • orbital invariance
  • single reference perturbation theory
  • size extensivity

Get free article suggestions today

Mendeley saves you time finding and organizing research

Sign up here
Already have an account ?Sign in

Find this document


Cite this document

Choose a citation style from the tabs below

Save time finding and organizing research with Mendeley

Sign up for free