On the use of different potential energy functions in rare-gas cluster optimization by genetic algorithms: Application to argon clusters

Journal of Physical Chemistry A

Volumn 112, Issue 27, 2008, Pages 6079-6089

  Marques, J M C ^a   Pereira, F B ^b,c   Leitao T ^c  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b POLYTECHNIC INSTITUTE OF COIMBRA   (Portugal)

^c UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; GENETIC ALGORITHMS; GLOBAL OPTIMIZATION; MOLECULAR PHYSICS; NITROGEN COMPOUNDS;

CLUSTER GEOMETRIES; DIPOLE POTENTIAL; GENETIC ALGORITHM (GAS); GLOBAL MINIMUM STRUCTURE; INTER-ATOMIC DISTANCES; LOCAL OPTIMIZATIONS; RARE-GAS CLUSTERS; STRUCTURAL PARAMETER;

POTENTIAL ENERGY FUNCTIONS;

EID: 49249101771     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp711918t     Document Type: Article

References (60)

1. Sato, T.; Tsuneda, T.; Hirao, K. Mol. Phys. 2005, 103, 1151.
2. Tao, J.; Perdew, J. P. J. Chem. Phys. 2005, 122, 114102.
3. Patkowski, K.; Murdachaew, G.; Fou, C.-M.; Szalewicz, K. Mol. Phys. 2005, 103, 2031.
4. Slavícek, P.; Kalus, R.; Paska, P.; Odvárková, I.; Hobza, P.; Malijevský, A. J. Chem. Phys. 2003, 119, 2102.
5. Cybulski, S. M.; Toczylowski, R. R. J. Chem. Phys. 1999, 111, 10520.
6. Baccarelli, I.; Gianturco, F. A.; González-Lezana, T.; Delgado-Barrio, G.; Miret-Artés, S.; Villarreal, P. J. Chem. Phys. 2005, 122, 144319.
7. Aziz, R. A. J. Chem. Phys. 1993, 99, 4518.
8. Naumkin, F. Y.; Wales, D. J. Mol. Phys. 1999, 96, 1295.
9. Cahill, K.; Persegian, V. A. J. Chem. Phys. 2004, 121, 10839.
10. Pereira, F. B. Marques, J. M. C. Leitão, T. Tavares, J. Proceedings of the 2006 IEEE Congress on Evolutionary Computation (CEC), Vancouver; Vols. 1-6, 2006; pp 2270-2277.
11. Locatelli, M.; Schoen, F. Comput. Optim. Appl. 2002, 21, 55.
12. Locatelli, M.; Schoen, F. Comput. Optim. Appl. 2003, 26, 173.
13. Korona, T.; Williams, H. L.; Bukowski, R.; Jeziorski, B.; Szalewicz, K. J. Chem. Phys. 1997, 106, 5109.
14. Tang, K. T.; Toennies, J. P. J. Chem. Phys. 1984, 80, 3726.
15. Herring, C. Rev. Mod. Phys. 1962, 34, 631.
16. Murdachaew, G.; Szalewicz, K.; Jiang, H.; Bacic, Z. J. Chem. Phys. 2004, 121, 11839.
17. Hattig, C.; Hess, B. A. J. Phys. Chem. 1996, 100, 6243.
18. Thakkar, A. J. J. Chem. Phys. 1988, 89, 2092.
19. Axilrod, B. M.; Teller, E. J. Chem. Phys. 1943, 11, 299.
20. Muto, Y. Proc. Phys. Math. Soc. Jpn. 1943, 17, 629.
21. Axilrod, B. M. J. Chem. Phys. 1951, 19, 719.
22. Standard, J.; Certain, P. C. J. Chem. Phys. 1985, 83, 3002.
23. Varandas, A. J. C. Mol. Phys. 1983, 49, 817.
24. Sachse, T. I.; Tang, K. T.; Toennies, J. P. Chem. Phys. Lett. 2000, 317, 346.
25. Horn, T. R.; Gerber, R. B.; Valentini, J. J.; Ratner, M. A. J. Chem. Phys. 1991, 94, 6728.
26. Hartke, B. Proceedings of the Genetic and Evolutionary Computation Conference, GECCO-2001, San Francisco; Spector, L., Goodman, E., Wu, A., Langdon, W. B., Voigt, H.-M., Gen, M., Sen, S., Dorigo, M., Pezeshk., S., Garzon, M., Burke, E., Eds.; Morgan Kaufmann: Burlington, MA, 2001; p 1284.
27. Roberts, C.; Johnston, R. L.; Wilson, N. T. Theor. Chem. Acc. 2000, 104, 123.
28. Nocedal, J. Math. Comput. 1980, 35, 773.
29. Liu, D.; Nocedal, J. Math. Program. B 1989, 45, 503.
30. Deaven, D. M.; Ho, K. M. Phys. Rev. Lett. 1995, 75, 288.
31. Pereira, F. B.; Marques, J. M. C.; Leitão, T.; Tavares, J. Advances in Metaheuristics for Hard Optimization, Springer Natural Computing Series; Siarry, P., Michalewicz, Z., Eds.; Springer: Berlin, 2008; pp 223-250.
32. Hartke, B. Struct. Bonding (Berlin) 2004, 110, 33.
33. Hoare, M. R.; McInnes, J. Faraday Discuss. Chem. Soc. 1976, 61, 12.
34. Tsai, C. J.; Jordan, K. D. J. Chem. Phys. 1993, 99, 6957.
35. Stillinger, F. H. Phys. Rev. E 1999, 59, 48.
36. Wales, D. J. Energy Landscapes: With Applications to Clusters, Biomolecules and Glasses; Cambridge University Press: Cambridge, U.K., 2003.
37. Doye, J. P. K.; Miller, M. A.; Wales, D. J. J. Chem. Phys. 1999, 111, 8417.
38. Doye, J. P. K.; Miller, M. A.; Wales, D. J. J. Chem. Phys. 1999, 110, 6896.
39. Wales, D. J.; Doye, J. P. K. J. Phys. Chem. A 1997, 101, 5111.
40. Gregurick, S. K.; Alexander, M. H.; Hartke, B. J. Chem. Phys. 1996, 104, 2684.
41. Wales, D. J.; Scheraga, H. A. Science 1999, 285, 1368.
42. Hartke, B. J. Comput. Chem. 1999, 20, 1752.
43. Doye, J. P. K. Phys. Rev. E 2000, 62, 8753.
44. Doye, J. P. K.; Leary, R. H.; Locatelli, M.; Schoen, F. INFORMS J. Comput. 2004, 16, 371.
45. Grosso, A.; Locatelli, M.; Schoen, F. Math. Program. 2007, 110, 373.
46. The Cambridge Cluster Database, http://brian.ch.cam.ac.uk/ccd.html (accessed in December 2007).
47. Lordeiro, R. A.; Guimarães, F. F. G.; Belchior, J. C.; Johnston, R. L. Int. J. Quantum Chem. 2003, 95, 112.
48. Doye, J. P. K.; Wales, D. J.; Berry, R. S. J. Chem. Phys. 1995, 103, 4234.
49. Doye, J. P. K.; Wales, D. J. J. Chem. Soc., Faraday Trans. 1997, 93, 4233.
50. Hoare, M. R.; Pal, P. Nat. Phys. Sci. 1972, 236, 35.
51. Kihara, T.; Koba, S. J. Phys. Soc. Jpn. 1952, 7, 348.
52. Aquilanti, V.; Lombardi, A.; Yurtsever, E. Phys. Chem. Chem. Phys. 2002, 4, 5040.
53. Aquilanti, V.; Lombardi, A.; Sevryuk, M. B. J. Chem. Phys. 2004, 121, 5579.
54. Johnston, R. L. Atomic and Molecular Clusters; Taylor & Francis: London, 2002.
55. Wales, D. J. J. Am. Chem. Soc. 1990, 112, 7908.
56. Hartke, B. Chem. Phys. Lett. 1996, 258, 144.
57. Wales, D. J.; Hodges, M. P. Chem. Phys. Lett. 1998, 286, 65.
58. James, T.; Wales, D. J.; Hernandez-Rojas, J. Chem. Phys. Lett. 2005, 415, 302.
59. Silva, E. S. A.; Duarte, H. A.; Belchior, J. C. Chem. Phys. 2006, 323, 553.
60. Doye, J. P. K. Comput. Mater. Sci. 2006, 35, 227.