Modified Morse potential for unification of the pair interactions

Journal of Chemical Physics

Volumn 127, Issue 12, 2007, Pages

  Cheng, Longjiu ^a   Yang, Jinlong ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

MATHEMATICAL MODELS; PARAMETER ESTIMATION;

LENNARD-JONES POTENTIAL; MODEL POTENTIAL; MORSE POTENTIAL;

CHEMICAL POTENTIAL;

EID: 34848914312     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2777148     Document Type: Article

References (19)

1. F. Baletto and R. Ferrando, Rev. Mod. Phys. 77, 371 (2005).
2. J. E. Lennard-Jones, Proc. R. Soc. London, Ser. A 109, 584 (1925).
3. P. M. Morse, Phys. Rev. 34, 57 (1929).
4. J. P. K. Doye, D. J. Wales, and R. S. Berry, J. Chem. Phys. 103, 4234 (1995).
5. J. P. K. Doye and D. J. Wales, J. Chem. Soc., Faraday Trans. 93, 4233 (1997).
6. L. J. Cheng and J. L. Yang, J. Phys. Chem. A 111, 5287 (2007).
7. M. Quack and M. A. Suhm, J. Chem. Phys. 95, 28 (1991).
8. J. M. Pacheco and J. P. Prates-Ramalho, Phys. Rev. Lett. 79, 3873 (1997).
9. X. G. Shao, L. J. Cheng, and W. S. Cai, J. Comput. Chem. 25, 1693 (2004).
10. L. J. Cheng, W. S. Cai, and X. G. Shao, ChemPhysChem 8, 569 (2007).
11. Cambridge Cluster Database (CCD) (http://www-wales.ch.cam.ac.uk/CCD.html) .
12. Coordinates of the global minima and the table along with the energies, motifs, point groups, number of nearest neighbors, and strain energies are available from the webpage (http://staff.ustc.edu.cn/~clj/modified_morse/table. html).
13. L. D. Marks, Philos. Mag. A 49, 81 (1984).
14. R. H. Leary and J. P. K. Doye, Phys. Rev. E 60, R6320 (1999).
15. J. P. K. Doye, D. J. Wales, and S. I. Simdyankin, Faraday Discuss. 118, 159 (2001).
16. G. Rossi, A. Rapallo, C. Mottet, A. Fortunelli, F. Baletto, and R. Ferrando, Phys. Rev. Lett. 93, 105503 (2004).
17. J. P. K. Doye and D. J. Wales, Phys. Rev. Lett. 86, 5719 (2001).
18. A. Lechken, D. Schooss, J. R. Stairs, M. N. Blom, F. Furche, N. Morgner, O. Kostko, B. von Issendorff, and M. M. Kappes, Angew. Chem., Int. Ed. 46, 1 (2007).
19. D. J. Wales, Science 293, 2067 (2001).