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Volumn 118, Issue 14, 2003, Pages 6358-6369

Vibrational energy levels for symmetric and asymmetric isotopomers of ammonia with an exact kinetic energy operator and new potential energy surfaces

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; CHEMICAL BONDS; ELECTRON ENERGY LEVELS; HAMILTONIANS; ISOMERS; KINETIC ENERGY; MOLECULAR VIBRATIONS; POTENTIAL ENERGY;

EID: 0038637793     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1555801     Document Type: Article
Times cited : (56)

References (74)
  • 26
    • 0004149831 scopus 로고    scopus 로고
    • (Wolfram Media/Cambridge University Press, Cambridge)
    • S. Wolfram, The Mathematica Book, 4th ed. (Wolfram Media/Cambridge University Press, Cambridge, 1999).
    • (1999) The Mathematica Book, 4th Ed.
    • Wolfram, S.1
  • 33
    • 0037598950 scopus 로고    scopus 로고
    • MOLPRO is a package of ab initio programs designed by H.-J. Werner and P. J. Knowles, version 2002.3 (2002)
    • R. D. Amos, A. Bernhardsson, A. Berning et al., MOLPRO is a package of ab initio programs designed by H.-J. Werner and P. J. Knowles, version 2002.3 (2002).
    • (2002)
    • Amos, R.D.1    Bernhardsson, A.2    Berning, A.3
  • 37
    • 0038613170 scopus 로고    scopus 로고
    • note
    • See EPAPS Document No. E-JCPSA6-118-005313 for Latex file containing the tables with the coefficients of the Chebyshev polynomials used to fit the CCSD(T)/aug-cc-pVQZ and CCSD(T)/aug-cc-pVTZ ab initio data and optimized parameters in fits I and II. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
  • 52
    • 0038613169 scopus 로고    scopus 로고
    • for details on the numerical method
    • http://www.caam.rice.edu/software/arpack/ for details on the numerical method.
  • 53
    • 0038274233 scopus 로고    scopus 로고
    • for details on the numerical method
    • http://www.netlib.org for details on the numerical method.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.