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Volumn 110, Issue 1, 1999, Pages 62-71

Gradients for the partitioned equation-of-motion coupled-cluster method

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0008000335     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478085     Document Type: Article
Times cited : (34)

References (53)
  • 11
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    • Geometrical Derivatives of Energy Surfaces and Molecular Properties
    • in edited by P. Jørgensen and J. Simons Reidel, Dordrecht
    • R. J. Bartlett, in Geometrical Derivatives of Energy Surfaces and Molecular Properties, edited by P. Jørgensen and J. Simons, NATO ASI Series C Vol. 166 (Reidel, Dordrecht, 1986), pp. 35-61.
    • (1986) NATO ASI Series C , vol.166 , pp. 35-61
    • Bartlett, R.J.1
  • 23
    • 0001039562 scopus 로고
    • in edited by D. R. Yarkony World Scientific, Singapore
    • R. J. Bartlett, in Modern Electronic Structure Theory, edited by D. R. Yarkony (World Scientific, Singapore, 1995), Pt. II, pp. 1047-1113.
    • (1995) Modern Electronic Structure Theory , Issue.2 PART , pp. 1047-1113
    • Bartlett, R.J.1
  • 28
    • 21544473251 scopus 로고    scopus 로고
    • Ph.D. thesis, University of Florida
    • S. R. Gwaltney, Ph.D. thesis, University of Florida, 1997.
    • (1997)
    • Gwaltney, S.R.1
  • 29
    • 21544466265 scopus 로고    scopus 로고
    • The ACES II program is a product of the Quantum Theory Project, University of Florida Authors: J. F. Stanton, J. Gauss, J. D. Watts, M. Nooijen, N. Oliphant, S. A. Perera, P. G. Szalay, W. J. Lauderdale, S. R. Gwaltney, S. Beck, A. Balková, D. E. Bernholdt, K.-K. Baeck, H. Sekino, P. Rozyczko, C. Huber, and R. J. Bartlett. Integral packages included are VMOL (J. Almlöf and P. R. Taylor), VPROPS (P. R. Taylor), and a modified version of the ABACUS integral derivative package (T. U. Helgaker, H. J. Aa. Jensen, J. Olsen, P. Jørgensen, and P. R. Taylor)
    • The ACES II program is a product of the Quantum Theory Project, University of Florida Authors: J. F. Stanton, J. Gauss, J. D. Watts, M. Nooijen, N. Oliphant, S. A. Perera, P. G. Szalay, W. J. Lauderdale, S. R. Gwaltney, S. Beck, A. Balková, D. E. Bernholdt, K.-K. Baeck, H. Sekino, P. Rozyczko, C. Huber, and R. J. Bartlett. Integral packages included are VMOL (J. Almlöf and P. R. Taylor), VPROPS (P. R. Taylor), and a modified version of the ABACUS integral derivative package (T. U. Helgaker, H. J. Aa. Jensen, J. Olsen, P. Jørgensen, and P. R. Taylor).
  • 33
    • 21544475619 scopus 로고    scopus 로고
    • Basis sets 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, WA99352, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract No. DE-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for further information.
    • Basis sets 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, WA99352, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract No. DE-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for further information.
  • 48
    • 0002192627 scopus 로고
    • in edited by E. C. Lim Academic, New York
    • E. R. Davidson and L. E. McMurchie, in Excited States, edited by E. C. Lim (Academic, New York, 1982), Vol. 5, pp. 1-39.
    • (1982) Excited States , vol.5 , pp. 1-39
    • Davidson, E.R.1    McMurchie, L.E.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.