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Volumn 110, Issue 9, 1999, Pages 4315-4337

Analytic potential energy surfaces and their couplings for the electronically nonadiabatic chemical processes Na(3p) + H2→Na(3s) + H2 and Na(3p) + H2→NaH + H

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EID: 0000241807     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478314     Document Type: Article
Times cited : (32)

References (69)
  • 10
    • 1842779728 scopus 로고
    • S. L. Mielke, G. J. Tawa, D. G. Truhlar, and D. W. Schwenke, J. Am. Chem. Soc. 115, 6436 (1993); Int. J. Quantum Chem., Symp. 27, 621 (1993).
    • (1993) Int. J. Quantum Chem., Symp. , vol.27 , pp. 621
  • 19
  • 27
    • 6944251055 scopus 로고
    • C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934); R. J. Bartlett and D. M. Silver, J. Chem. Phys. 62, 3258 (1975); J. A. Pople, R. Krishnan, H. B. Schlegel, and J. S. Binkley, Int. J. Quantum Chem. 14, 545 (1978).
    • (1934) Phys. Rev. , vol.46 , pp. 618
    • Møller, C.1    Plesset, M.S.2
  • 28
    • 36749119399 scopus 로고
    • C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934); R. J. Bartlett and D. M. Silver, J. Chem. Phys. 62, 3258 (1975); J. A. Pople, R. Krishnan, H. B. Schlegel, and J. S. Binkley, Int. J. Quantum Chem. 14, 545 (1978).
    • (1975) J. Chem. Phys. , vol.62 , pp. 3258
    • Bartlett, R.J.1    Silver, D.M.2
  • 30
    • 0001206302 scopus 로고
    • B. R. Brooks and H. F. Schaefer III, J. Chem. Phys. 70, 5092 (1979); C. W. Bauschlicher, S. R. Langhuff, and P. R. Taylor, Adv. Chem. Phys. 77, 103 (1990).
    • (1979) J. Chem. Phys. , vol.70 , pp. 5092
    • Brooks, B.R.1    Schaefer H.F. III2
  • 32
    • 33746614482 scopus 로고    scopus 로고
    • personal communication
    • Dunning and D. Woon (personal communication); T. H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
    • Dunning1    Woon, D.2
  • 33
    • 33746614482 scopus 로고    scopus 로고
    • Dunning and D. Woon (personal communication); T. H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007
    • Dunning T.H., Jr.1
  • 35
    • 0001392512 scopus 로고
    • J. Cizek, J. Chem. Phys. 45, 4256 (1966); J. Paldus, J. Cizek, and I. Shavitt, Phys. Rev. A 5, 50 (1972); K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
    • (1966) J. Chem. Phys. , vol.45 , pp. 4256
    • Cizek, J.1
  • 36
    • 0002334650 scopus 로고
    • J. Cizek, J. Chem. Phys. 45, 4256 (1966); J. Paldus, J. Cizek, and I. Shavitt, Phys. Rev. A 5, 50 (1972); K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
    • (1972) Phys. Rev. A , vol.5 , pp. 50
    • Paldus, J.1    Cizek, J.2    Shavitt, I.3
  • 41
    • 33947412077 scopus 로고
    • H. Eyring and M. Polanyi, Z. Phys. Chem. Abt. B 12, 279 (1931); S. Sato, J. Chem. Phys. 23, 592 (1955); 23, 2465 (1955).
    • (1955) J. Chem. Phys. , vol.23 , pp. 592
    • Sato, S.1
  • 42
    • 36849121729 scopus 로고
    • H. Eyring and M. Polanyi, Z. Phys. Chem. Abt. B 12, 279 (1931); S. Sato, J. Chem. Phys. 23, 592 (1955); 23, 2465 (1955).
    • (1955) J. Chem. Phys. , vol.23 , pp. 2465
  • 46
    • 36549092595 scopus 로고
    • W. Zemke, R. Olson, K. Verma, W. Stwalley, and B. Liu, J. Chem. Phys. 80, 356 (1984); 85, 4209(E) (1986).
    • (1986) J. Chem. Phys. , vol.85
  • 55
    • 34548100747 scopus 로고
    • Amsterdam
    • L. Jansen, Physica (Amsterdam) 23, 599 (1957).
    • (1957) Physica , vol.23 , pp. 599
    • Jansen, L.1
  • 57
    • 33749988072 scopus 로고
    • Amsterdam
    • S. Kielich, Physica (Amsterdam) 31, 444 (1965).
    • (1965) Physica , vol.31 , pp. 444
    • Kielich, S.1
  • 62
    • 0030079713 scopus 로고    scopus 로고
    • Genetic algorithm calculations were carried out using the program FORTRAN GA, Version 1.6.2 as described in D. L. Carroll. AIAA J. 34, 338 (1996).
    • (1996) AIAA J. , vol.34 , pp. 338
    • Carroll, D.L.1
  • 64
    • 0010820360 scopus 로고
    • edited by H. Hartmann Springer, Berlin
    • E. E. Nikitin, in Chemische Elemetarprozesse, edited by H. Hartmann (Springer, Berlin, 1968), pp. 43-77.
    • (1968) Chemische Elemetarprozesse , pp. 43-77
    • Nikitin, E.E.1
  • 67
    • 1842779733 scopus 로고    scopus 로고
    • M. S. Topaler, T. C. Allison, D. W. Schwenke, and D. G. Truhlar, J. Chem. Phys. 109, 3321 (1998); 110, 687(E) (1999).
    • (1999) J. Chem. Phys. , vol.110


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