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Spin flipping in ring-coupled-cluster-doubles theory

Klopper, Wim
•
Teale, Andrew M.
•
CORIANI, Sonia
altro
Helgaker, Trygve
2011
  • journal article

Periodico
CHEMICAL PHYSICS LETTERS
Abstract
We report a critical analysis and comparison of a variety of random-phase-approximation (RPA) based approaches to determine the electronic ground-state energy. Interrelations between RPA variants are examined by numerical example with particular attention paid to the role of spin-flipped excitations and the behaviour of the adiabatic-connection integrands where appropriate. In general, it is found that RPA variants that include Hartree–Fock exchange contributions are unsuitable as generally applicable methods for the determination of correlation energies. Of the remaining methods only the direct RPA and RPA with second-order screened exchange are recommended for general use.
DOI
10.1016/j.cplett.2011.04.101
WOS
WOS:000291478400029
Archivio
http://hdl.handle.net/11368/2336245
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-79958852976
Diritti
metadata only access
Soggetti
  • DFT

  • RPA

  • RCCD

  • DRPA

  • DRCCD

  • RPAx

  • SOSEX

Scopus© citazioni
38
Data di acquisizione
Jun 7, 2022
Vedi dettagli
Web of Science© citazioni
39
Data di acquisizione
Mar 15, 2024
Visualizzazioni
4
Data di acquisizione
Apr 19, 2024
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