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Volumn 128, Issue 14, 2008, Pages

Multiconfiguration optimized effective potential method for a density-functional treatment of static correlation

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION ALGORITHMS; COMPUTATIONAL METHODS; DENSITY FUNCTIONAL THEORY; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STATES; EXCITED STATES; GROUND STATE; SPECTRUM ANALYSIS; STATIC ANALYSIS;

EID: 42149158204     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2868755     Document Type: Article
Times cited : (29)

References (94)
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  • 3
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    • Density Functional Theory of Atoms and Molecules (Oxford University Press, Oxford).
    • R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989).
    • (1989)
    • Parr, R.G.1    Yang, W.2
  • 14
    • 24144487105 scopus 로고    scopus 로고
    • and references therein.
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    • Görling, A.1
  • 37
    • 0001388786 scopus 로고    scopus 로고
    • in Recent Developments and Applications of Modern Density Functional Theory, edited by J. M. Seminario (Elsevier, Amsterdam),.
    • A. Savin, in Recent Developments and Applications of Modern Density Functional Theory, edited by, J. M. Seminario, (Elsevier, Amsterdam, 1996), p. 327.
    • (1996) , pp. 327
    • Savin, A.1
  • 56
    • 24144451155 scopus 로고    scopus 로고
    • and references therein.
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  • 69
    • 42149163551 scopus 로고    scopus 로고
    • See EPAPS Document No. E-JCPSA6-128-004810 for the geometric series basis set located in the center of mass of H2. This document can be reached through a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aiorg/pubservs/epaps.html).
    • See EPAPS Document No. E-JCPSA6-128-004810 for the geometric series basis set located in the center of mass of H2. This document can be reached through a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html).
  • 71
    • 85102989523 scopus 로고    scopus 로고
    • Molecular Electronic-Structure Theory (Wiley, Chichster).
    • T. Helgaker, P. Jørgensen, and J. Olsen, Molecular Electronic-Structure Theory (Wiley, Chichster, 2000).
    • (2000)
    • Helgaker, T.1    Jørgensen, P.2    Olsen, J.3
  • 72
    • 42149185110 scopus 로고
    • Modern Quantum Chemistry (Dover, Mineola).
    • A. Szabo and N. S. Ostlund, Modern Quantum Chemistry (Dover, Mineola, 1989).
    • (1989)
    • Szabo, A.1    Ostlund, N.S.2
  • 75
    • 42149093870 scopus 로고    scopus 로고
    • Ph.D. Thesis, Universite Pierre et Marie Curie.
    • J. Toulouse, Ph.D. Thesis, Universite Pierre et Marie Curie, 2005.
    • (2005)
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  • 80
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    • Ph.D. Thesis, Technische Universität München.
    • R. Krawczyk, Ph.D. Thesis, Technische Universität München, 2003.
    • (2003)
    • Krawczyk, R.1
  • 81
    • 0001345467 scopus 로고
    • Ground state geometry (in D2h symmetry) from x-ray and vibration-rotation spectra: dCC =1.335±0.003 Å, dCH =1.090±0.002 Å, and HCH =117.4±0.5°., 0021-9606 10.1063/1.1726840, ();, J. Chem. Phys. 42, 2683 (1965).
    • Ground state geometry (in D2h symmetry) from x-ray and vibration-rotation spectra: dCC =1.335±0.003 Å, dCH =1.090±0.002 Å, and HCH =117.4±0.5°. K. Kuchitsu, J. Chem. Phys. 0021-9606 10.1063/1.1726840 44, 906 (1966); L. S. Bartell, E. A. Roth, C. D. Hollwell, K. Kuchitsu, and J. E. Young, J. Chem. Phys. 42, 2683 (1965).
    • (1966) J. Chem. Phys. , vol.44 , pp. 906
    • Kuchitsu, K.1    Bartell, L.S.2    Roth, E.A.3    Hollwell, C.D.4    Kuchitsu, K.5    Young, J.E.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.