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Volumn 102, Issue 21-22, 2004, Pages 2297-2310

High excitations in coupled-cluster series: Vibrational energy levels of ammonia

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; ELECTRON ENERGY LEVELS; EXTRAPOLATION; HARMONIC ANALYSIS; MATHEMATICAL MODELS; POTENTIAL ENERGY; QUANTUM THEORY;

EID: 10844234847     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970412331292759     Document Type: Article
Times cited : (58)

References (81)
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    • note
    • MOLPRO, 2003, a package of ab initio computer programs designed by H.-J. Werner and P. J. Knowles, version 2002.6. With contributions from R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, P. J. Knowles, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson and H.-J. Werner.
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    • note
    • STANTON, J. F., GAUSS, J., WATTS, J. D., LAUDERDALE, W., and BARTLETT, R. J., 1996, ACES II, an ab initia computer program system (University of Florida, Gainesville), incorporating the MOLECULE vectorized molecular integral program by J. Almlöf and P. R. Taylor, and a modified version of the ABACUS integral derivative package by T. Helgaker, H. J. Aa. Jensen, P. Jrgensen, J. Olsen, and P. R. Taylor; see also: STANTON, J. F., GAUSS, J., WATTS, J. D., LAUDERDALE, W. J., and BARTLETT, R. J., 1992, Int. J. quantum Chem. Symp., 26, 879.
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