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Volumn 349, Issue 1-3, 2008, Pages 121-125

Multireference averaged quadratic coupled-cluster (MR-AQCC) method based on the functional of the total energy

Author keywords

Ab initio; Avoided crossing; Electron correlation; Size consistency

Indexed keywords


EID: 44749088749     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2008.03.011     Document Type: Article
Times cited : (25)

References (35)
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  • 2
    • 0001039562 scopus 로고
    • Yarkony R. (Ed), World Scientific, Singapore
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    • (1995) Modern Electronic Structure Theory , vol.2 , pp. 1047
    • Bartlett, R.J.1
  • 4
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    • and references therein
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    • Bartlett, R.J.1
  • 21
    • 0002369876 scopus 로고    scopus 로고
    • Towards state-specific formulation of multireference coupled-cluster theory: coupled electron pair approximations (CEPA) leading to multireference configuration interaction (MR-CI) type equations
    • Bartlett R.J. (Ed), World Scientific, Singapore
    • Szalay P.G. Towards state-specific formulation of multireference coupled-cluster theory: coupled electron pair approximations (CEPA) leading to multireference configuration interaction (MR-CI) type equations. In: Bartlett R.J. (Ed). Modern Ideas in Coupled-Cluster Methods (1997), World Scientific, Singapore 81
    • (1997) Modern Ideas in Coupled-Cluster Methods , pp. 81
    • Szalay, P.G.1
  • 22
    • 44749094744 scopus 로고    scopus 로고
    • Configuration interaction: correction for size-consistency
    • von Ragué Schleyer P., Schaefer H.F., Schreiner P.R., Jorgensen W.L., Thiel W., and Glen R.C. (Eds), John Wiley & Sons, Ltd., Chichester, UK doi:10.1002/0470845015.cn0066
    • Szalay P.G. Configuration interaction: correction for size-consistency. In: von Ragué Schleyer P., Schaefer H.F., Schreiner P.R., Jorgensen W.L., Thiel W., and Glen R.C. (Eds). Encyclopedia of Computational Chemistry (online edition) (2005), John Wiley & Sons, Ltd., Chichester, UK doi:10.1002/0470845015.cn0066
    • (2005) Encyclopedia of Computational Chemistry (online edition)
    • Szalay, P.G.1
  • 34
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    • Yarkony R. (Ed), World Scientific, Singapore
    • Shepard R. In: Yarkony R. (Ed). Modern Electronic Structure Theory vol. 1 (1995), World Scientific, Singapore 345
    • (1995) Modern Electronic Structure Theory , vol.1 , pp. 345
    • Shepard, R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.