The diagonal Born-Oppenheimer correction for He+2 and F + H2

Chemical Physics Letters

Volumn 251, Issue 1-2, 1996, Pages 52-58

  Ioannou, Andrew G ^a   Amos, Roger D ^a   Handy, Nicholas C ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030584593     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(96)00092-9     Document Type: Article

References (21)

1. [1] W. Kolos and J. Rychlewski, J. Chem. Phys. 98 (1993) 3960.
2. [2] H.C. Longuet-Higgins, Advances in spectroscopy II (Interscience, London, 1961) p. 429.
3. [3] W. Kolos and L. Wolniewicz, J. Chem. Phys. 41 (1964) 3663.
4. [4] B.T. Sutcliffe, J. Chem. Soc. Faraday Trans. 89 (1993) 2321.
5. [5] N.C. Handy, Y. Yamaguchi and H.F. Schaefer III, J. Chem. Phys. 84 (1986) 4481.
6. [6] W. Cencek and J. Rychlewski, J. Chem. Phys. 102 (1995) 2533.
7. [7] A. Carrington, P.J. Knowles and C.H. Pyne, J. Chem. Phys. 102 (1995) 5979.
8. [8] C.W. Bauschlicher Jr., H. Partridge and D. Ceperley, Chem. Phys. Letters 160 (1989) 183.
9. [9] F.J. Aoiz, L. Bañares, V.J. Herrero, V. Sáez Rábanos, K. Stark and H.-J. Werner, Chem. Phys. Letters 223 (1994) 215.
10. [10] P.J. Knowles, K. Stark and H.-J. Werner, Chem. Phys. Letters 185 (1991) 555.
11. [11] B.M. Dinelli, C.R. Le Sueur, J. Tennyson and R.D. Amos, Chem. Phys. Letters 232 (1995) 295.
12. [12] R.D. Amos, I.L. Alberts, J.S. Andrews, S.M. Colwell, N.C. Handy, D. Jayatilaka, P.J. Knowles, R. Kobayashi, G.J. Laming, A.M. Lee, P.E. Maslen, C.W. Murray, P. Palmieri, J.E. Rice and E.D. Siman, CADPAC6.0: The Cambridge Analytic Derivatives Package Issue 6.0, Cambridge (1995).
13. [13] J.A. Pople, R. Krishnan, H.B. Schlegel and J.S. Binkley, Intern. J. Quantum Chem. Symp. 13 (1979) 225.
14. [14] N. Yu and W.H. Wing, Phys. Rev. Letters 59 (1987) 2055.
15. [15] R.J. Le Roy, University of Waterloo, Chem. Phys. Res. Rept. CP-330 (1991).
16. [16] B.C. Garrett and D.G. Truhlar, J. Chem. Phys. 82 (1985) 4543.
17. [17] R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople, J. Chem. Phys. 72 (1980) 650.
18. [18] W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56 (1972) 2257.
19. [19] P.-O. Widmark, P.-Å. Malmqvist and B.O. Roos, Theoret. Chim. Acta 77 (1990) 291.
20. [20] S. Huzinaga, Approximate atomic functions, University of Alberta, Edmonton (1971).
21. [21] F.B. van Duijneveldt, IBM Research Report RJ 945 (1971).