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Volumn 145, Issue 14, 2016, Pages

Using an expanding nondirect product harmonic basis with an iterative eigensolver to compute vibrational energy levels with as many as seven atoms

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; ETHYLENE; MOLECULES;

EID: 84991711538     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4963916     Document Type: Article
Times cited : (41)

References (81)
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    • H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, M. Schütz, P. Celani, T. Korona, R. Lindh, A. Mitrushenkov, G. Rauhut, K. R. Shamasundar, T. B. Adler, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, E. Goll, C. Hampel, A. Hesselmann, G. Hetzer, T. Hrenar, G. Jansen, C. Köppl, Y. Liu, A. W. Lloyd, R. A. Mata, A. J. May, S. J. McNicholas, W. Meyer, M. E. Mura, A. Nicklass, D. P. O'Neill, P. Palmieri, K. Pflüger, R. Pitzer, M. Reiher, T. Shiozaki, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson, M. Wang, and A. Wolf, molpro, version 2010.1, a package of ab initio programs, 2010, see http://www.molpro.net.
    • (2010)
  • 16
    • 0000229685 scopus 로고    scopus 로고
    • Discrete-variable representations and their utilization
    • in (John Wiley & Sons, Inc.)
    • J. C. Light and T. Carrington, Jr., "Discrete-variable representations and their utilization," in Advances in Chemical Physics (John Wiley & Sons, Inc., 2000), pp. 263-310.
    • (2000) Advances in Chemical Physics , pp. 263-310
    • Light, J.C.1    Carrington, T.2
  • 26
    • 0037044984 scopus 로고    scopus 로고
    • H.-G. Yu, J. Chem. Phys. 117, 8190 (2002). 10.1063/1.1511721
    • (2002) J. Chem. Phys. , vol.117 , pp. 8190
    • Yu, H.-G.1
  • 34
  • 38
    • 0036678361 scopus 로고    scopus 로고
    • H.-G. Yu, J. Chem. Phys. 117, 2030 (2002). 10.1063/1.1488575
    • (2002) J. Chem. Phys. , vol.117 , pp. 2030
    • Yu, H.-G.1
  • 49
    • 84991698710 scopus 로고    scopus 로고
    • Efficient molecular quantum dynamics in coordinate and phase space using pruned bases
    • (to be published)
    • H. R. Larsson, B. Hartke, and D. J. Tannor, "Efficient molecular quantum dynamics in coordinate and phase space using pruned bases," J. Chem. Phys. (to be published).
    • J. Chem. Phys
    • Larsson, H.R.1    Hartke, B.2    Tannor, D.J.3
  • 57
  • 74
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    • 15,15,14,13 = - 1.06329. divided by degeneracy factors. The mode numbering is as in Ref. 72, which is not the same as the mode numbering in the suppelementary material of Ref. 72
    • 15,15,14,13 = - 1.06329. divided by degeneracy factors. The mode numbering is as in Ref. 72, which is not the same as the mode numbering in the suppelementary material of Ref. 72.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.