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Volumn 99, Issue 6, 2001, Pages 481-507

Highly accurate coupled-cluster singlet and triplet pair energies from explicitly correlated calculations in comparison with extrapolation techniques

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CARBON MONOXIDE; ELECTRON ENERGY LEVELS; FLUORINE; FLUORINE COMPOUNDS; NEON; NITROGEN; PARTIAL DIFFERENTIAL EQUATIONS; QUANTUM THEORY;

EID: 0035917232     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970010017315     Document Type: Article
Times cited : (215)

References (123)
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    • Klopper, W., 1998, Encyclopedia of Computational Chemistry, Vol. 4, edited by P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Chichester: Wiley) p. 2351.
    • (1998) Encyclopedia of Computational Chemistry , vol.4 , pp. 2351
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    • edited by A. Hernández-Laguna, J. Maruani, R. McWeeny, and S. Wilson (Dordrecht: Kluwer)
    • Quiney, H. M., Moncrieff, D., and Wilson, S., 2000, Quantum Systems in Chemistry and Physics, Vol. 1, edited by A. Hernández-Laguna, J. Maruani, R. McWeeny, and S. Wilson (Dordrecht: Kluwer) p. 127.
    • (2000) Quantum Systems in Chemistry and Physics , vol.1 , pp. 127
    • Quiney, H.M.1    Moncrieff, D.2    Wilson, S.3
  • 77
    • 0011002764 scopus 로고    scopus 로고
    • edited by J. Grotendorst (Jülich: John von Neumann Institute for Computing)
    • Klopper, W., 2000, Modern Methods and Algorithms of Quantum Chemistry, Vol. 1, edited by J. Grotendorst (Jülich: John von Neumann Institute for Computing) p. 153.
    • (2000) Modern Methods and Algorithms of Quantum Chemistry , vol.1 , pp. 153
    • Klopper, W.1
  • 89
    • 0001336393 scopus 로고    scopus 로고
    • edited by C. A. Tsipis, V. S. Popov, D. R. Herschbach, and J. S. Avery (Dordrecht: Kluwer)
    • Morgan III, J. D., 1996, New Methods in Quantum Theory, edited by C. A. Tsipis, V. S. Popov, D. R. Herschbach, and J. S. Avery (Dordrecht: Kluwer) p. 311.
    • (1996) New Methods in Quantum Theory , pp. 311
    • Morgan J.D. III1
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    • note
    • The basis-set parameters were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the US Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the US Department of Energy under contract DE-AC06-76RLO 1830. The basis set of [103] is available under the nane 'Partridge Uncontr. 3'.
  • 104
    • 0011029916 scopus 로고
    • DIRCCR12-95, an explicitly correlated coupled-cluster program
    • Noga, J., and Klopper, W., 1995, DIRCCR12-95, an explicitly correlated coupled-cluster program.
    • (1995)
    • Noga, J.1    Klopper, W.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.