Relation of the force constant of a bond to the electric field at a nucleus

Journal of Computational Chemistry

Volumn 18, Issue 13, 1997, Pages 1664-1667

  McDowell, Sean A C ^a  

^a UNIVERSITY OF THE WEST INDIES   (Jamaica)

Author keywords

Bond length; Diatomic molecules; Electric field Hellman Feynman theorem; Force constant

Indexed keywords

EID: 11244255562     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199710)18:13<1664::AID-JCC8>3.0.CO;2-P     Document Type: Article

References (9)

1. P. Lazzeretti and R. Zanasi, Chem. Phys. Lett., 71, 529 (1980).
2. P. Lazzeretti and R. Zanasi, Chem. Phys. Lett., 112, 103 (1984).
3. P. W. Fowler and A. D. Buckingham, Chem. Phys., 98, 167 (1985).
4. P. Lazzeretti, R. Zanasi, and P. W. Fowler, J. Chem. Phys., 88, 272 (1988).
5. P. Lazzeretti, M. Malagoli, and R. Zanasi, J. Chem. Phys., 94, 448 (1991).
6. CADPAC (Cambridge Analytic Derivatives Package), Issue 6, Cambridge, UK, 1995. A suite of quantum chemistry programs developed by R. D. Amos with contributions from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, K. E. Laidig, G. Laming, A. M. Lee, P. E. Maslen, C. W. Murray, J. E. Rice, E. D. Simandiras, A. J. Stone, M.-D. Su, and D. J. Tozer.
7. H. Hellmann, Quantenchemie, Demticke, Leipzig, 1937, p. 285.
8. R. P. Feynman, Phys. Rev., 56, 340 (1939).
9. S. A. C. McDowell and A. D. Buckingham, J. Chem. Soc. Faraday Trans., 88, 3281 (1992).