On the effect of potential-energy cubic-spline interpolation error on Numerov - Cooley diatomic rovibrational levels

Computers and Chemistry

Volumn 21, Issue 6, 1997, Pages 363-367

  Penotti, Fabio E ^a,b  

^a Ctro Stud Relazioni Struttura R ^*  (Italy)

^b CNR   (Italy)

Author keywords

Cubic splines; Li2; Numerov method; Potential energy interpolation error; RKR method; Schr dinger equation

Indexed keywords

EID: 0042357215     PISSN: 00978485     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0097-8485(97)00037-5     Document Type: Article

References (6)

1. Barakat, B., Bacis, R., Carrot, F., Churassy, S., Crozet, P., Martin, F. and Verges, J. (1986) Chemical Physics 102, 215.
2. Cooley, J. W. (1961) Math. Comput. 5, 363.
3. Hurley, A. C. (1976) Introduction to the Electron Theory of Small Molecules. Academic Press, London.
4. Kusch, P. and Hessel, M. M. (1977) Journal of Chemical Physics 67, 586.
5. Lester, W. A. and Hammond, B. L. (1990) Annual Reviews of Physical Chemistry 41, 283.
6. Simos, T. E. (1997) Computers and Chemistry 21, 125.