Near-degeneracy corrections for second-order perturbation theory: Comparison of two approaches

A. Szabados, Xavier Assfeld, P. Surján

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

We compare two approximate perturbation schemes which were developed recently to deal with the (quasi)degeneracy problem in many-body perturbation theory. We conclude that although the two methods were introduced on quite different theoretical grounds, their performances are quite similar, and present an improvement over traditional perturbation theory. Both methods are cheap in computation time, but cannot compete in accuracy with more sophisticated schemes such as complete-active-space perturbation theory or dressed particle theories.

Original languageEnglish
Pages (from-to)408-412
Number of pages5
JournalTheoretical Chemistry Accounts
Volume105
Issue number6
DOIs
Publication statusPublished - May 2001

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perturbation theory
particle theory
perturbation

Keywords

  • Correlation energy
  • Epstein-Nesbet partitioning
  • Many-body perturbation theory (MBPT)
  • Quasidegeneracy
  • Second order perturbation theory

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Near-degeneracy corrections for second-order perturbation theory : Comparison of two approaches. / Szabados, A.; Assfeld, Xavier; Surján, P.

In: Theoretical Chemistry Accounts, Vol. 105, No. 6, 05.2001, p. 408-412.

Research output: Contribution to journalArticle

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