메뉴 건너뛰기




Volumn 119, Issue 5, 2003, Pages 2596-2613

A realistic multi-sheeted potential energy surface for NO2( 2A′) from the double many-body expansion method and a novel multiple energy-switching scheme

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; HIGH ENERGY PHYSICS; POTENTIAL ENERGY; SPECTROSCOPIC ANALYSIS;

EID: 0042012793     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1586911     Document Type: Article
Times cited : (50)

References (85)
  • 28
    • 0042791852 scopus 로고    scopus 로고
    • note
    • FVCAS denotes full valence complete active space, and CASPT2 stands for second-order Møller- Plesset perturbation theory starting from a CAS wave function.
  • 43
    • 37949042675 scopus 로고
    • edited by R. Bernstein (Plenum, New York)
    • P. J. Kuntz, in Atom-Molecule Collision Theory, edited by R. Bernstein (Plenum, New York, 1979), p. 79.
    • (1979) Atom-Molecule Collision Theory , pp. 79
    • Kuntz, P.J.1
  • 54
    • 0001794099 scopus 로고    scopus 로고
    • edited by A. Laganá and A. Riganelli (Springer, Berlin)
    • A. J. C. Varandas, in Lecture Notes in Chemistry, edited by A. Laganá and A. Riganelli (Springer, Berlin, 2000). Vol. 75, p. 33.
    • (2000) Lecture Notes in Chemistry , vol.75 , pp. 33
    • Varandas, A.J.C.1
  • 57
    • 0041789656 scopus 로고    scopus 로고
    • note
    • -1. All other parameters in Table 2 of the same paper remain unaltered.
  • 62
    • 0041789652 scopus 로고    scopus 로고
    • MOLPRO is a package of ab initia programs written by H.-J, Werner, P. J. Knowles, with contributions from R. D. Amos, A. Bernhardsson, A. Berning, et al., 2000
    • H.-J. Werner and P. J. Knowles, MOLPRO is a package of ab initia programs written by H.-J, Werner, P. J. Knowles, with contributions from R. D. Amos, A. Bernhardsson, A. Berning, et al., 2000.
    • Werner, H.-J.1    Knowles, P.J.2
  • 63
    • 0041789655 scopus 로고    scopus 로고
    • note
    • 2v symmetry. Although this has not been done, we will refer to such a structure as a minimum.
  • 65
    • 0041789653 scopus 로고    scopus 로고
    • note
    • h, respectively.
  • 67
    • 0942298952 scopus 로고    scopus 로고
    • edited by M. Baer and G. D. Billing (Wiley, New York)
    • A. J. C. Varandas and Z. R. Xu, in Advances in Chemical Physics, edited by M. Baer and G. D. Billing (Wiley, New York, 2001), p. 659.
    • (2001) Advances in Chemical Physics , pp. 659
    • Varandas, A.J.C.1    Xu, Z.R.2
  • 69
    • 0042791850 scopus 로고    scopus 로고
    • note
    • 0-2.
  • 70
    • 0041789602 scopus 로고
    • Ph.D. thesis. Université Joseph Fourier, Grenoble
    • R. Georges, Ph.D. thesis. Université Joseph Fourier, Grenoble, 1994.
    • (1994)
    • Georges, R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.