Calculation of Rydberg potential energy curve from Murrell-Sorbie parameters

Molecular Physics

Volumn 106, Issue 6, 2008, Pages 753-758

  Lim, Teik Cheng ^a  

^a SINGAPORE UNIVERSITY OF SOCIAL SCIENCES   (Singapore)

Author keywords

Conversion; Murrell Sorbie; Parameter; Potential energy function; Rydberg

Indexed keywords

CALCULATIONS; CURVES (ROAD); INTEGRAL EQUATIONS; MECHANICS; MOLECULAR MECHANICS; MOLECULES; NUMERICAL ANALYSIS; PARAMETER ESTIMATION; POTENTIAL ENERGY;

(001) PARAMETER; (N-1) CRITERION; BOND STRETCHING; BOND-STRETCHING; COMPUTATION TIME; DIRECT APPROACH; DIRECT METHOD (DM); FORCE FIELD (FF); IN ORDER; INTEGRAL APPROACH; INTEGRAL METHODS; INTERATOMIC ENERGY; POTENTIAL FUNCTIONS; RYDBERG; RYDBERG POTENTIAL; SOLID STATES;

CURVE FITTING;

EID: 45849093711     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970801953119     Document Type: Article

References (20)

1. R. Rydberg, Z. Phys.73, 376 (1931).
2. R. Rydberg, Z. Phys.80, 514 (1933).
3. J.N. Murrell and R.E. Mottram, Mol. Phys.69, 571 (1990).
4. J.N. Murrell and J.A. Rodriguez-Ruiz, Mol. Phys.71, 823 (1990).
5. A.R. Al-Derzi, R.L. Johnston, and J.N Murrell, Mol. Phys.73, 265 (1991).
6. S. Li, R.L. Johnston, and J.N. Murrell, J. Chem. Soc. Faraday Trans.88, 1229 (1992).
7. H. Cox, R.L. Johnston, and J.N. Murrell, J. Solid State Chem.145, 517 (1999).
8. L.D. Lloyd and R.L. Johnston, J. Chem. Soc. Dalton Trans. 307 (2000).
9. J.N. Murrell and K.S. Sorbie, J. Chem. Soc. Faraday Trans. II70, 1552 (1974).
10. P. Huxley and J.N. Murrell, J. Chem. Soc. Faraday Trans. II79, 323 (1983).
11. J.N. Murrell, S. Carter, S.C. Farantos, et al., Molecular Potential Energy Functions (Wiley, Chichester, 1984), pp. 182-185.
12. C.L. Yang, Y.J. Huang, X. Zhang, et al., J. Mol. Struct. (THEOCHEM)625, 289 (2003).
13. F. Gao, C.L. Yang, and T.Q. Ren, J. Mol. Struct. (THEOCHEM)758, 81 (2006).
14. T.Q. Ren, S.L. Ding, and C.L. Yang, J. Mol. Struct. (THEOCHEM)728, 159 (2005).
15. C.L. Yang, X. Zhang, and K.L. Han, J. Mol. Struct. (THEOCHEM)676, 209 (2004).
16. T.C. Lim, Z. Naturforsch. A58, 615 (2003).
17. T.C. Lim, Phys. Scripta.70, 347 (2004).
18. T.C. Lim, Chem. Phys.320, 54 (2005).
19. T.C. Lim, Mol. Phys.104, 1827 (2006).
20. T.C. Lim, Chem. Phys.331, 270 (2007).