Efficient global geometry optimization of clusters: Method, and application to water clusters

European Physical Journal D

Volumn 24, Issue 1-3, 2003, Pages 57-60

  Hartke, B ^a  

^a UNIVERSITY OF KIEL   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC AND MOLECULAR CLUSTERS; CLUSTER METHOD; GLOBAL GEOMETRY OPTIMIZATION; NON-TRIVIAL; PURE WATER; QUALITATIVE DIFFERENCES; SIMPLE++; WATER CLUSTER; WATER MODELS;

GEOMETRY;

EID: 0042071626     PISSN: 14346060     EISSN: None     Source Type: Journal    
DOI: 10.1140/epjd/e2003-00182-9     Document Type: Conference Paper

References (32)

1. J. Jortner, Z. Phys. D: At. Mol. Clust. 24, 247 (1992)
2. M.R. Hoare, P. Pal, Adv. Phys. 20, 161 (1971)
3. L.T. Wille, Annual Reviews of Computational Physics VII, edited by D. Stauffer (World Scientific, Singapore, 2000), p. 25
4. B. Hartke, Chem. Phys. Lett. 258, 144 (1996)
5. B. Hartke, Theor. Chem. Ace. 99, 241 (1998)
6. B. Hartke, J. Phys. Chem. 97, 9973 (1993)
7. B. Hartke, J. Comput. Chem. 20, 1752 (1999)
8. B. Hartke, Z. Phys. Chem. 214, 1251 (2000)
9. D.M. Deaven, K.M. Ho, Phys. Rev. Lett. 75, 288 (1995)
10. R.L. Johnston, C. Roberts, Soft Computing Approaches in Chemistry, edited by H. Cartwright, L. Sztandera (Physica-Verlag, Heidelberg, 2001)
11. D. Romero, C. Barrón. S. Gómez, Comput. Phys. Commun. 123, 87 (1999)
12. B. Hartke, Nonconvex optimization and its applications, edited by J.D. Pinter (Kluwer, Dordrecht, to appear)
13. W.L. Jorgensen, J. Chem. Phys. 77, 4156 (1982); W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, M.L. Klein, J. Chem. Phys. 79, 926 (1983)
14. W.L. Jorgensen, J. Chem. Phys. 77, 4156 (1982); W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, M.L. Klein, J. Chem. Phys. 79, 926 (1983)
15. D.J. Wales, M.P. Hodges, Chem. Phys. Lett. 286, 65 (1998)
16. B. Hartke, H.-J. Flad, M. Dolg, Phys. Chem. Chem. Phys. 3, 5121 (2001)
17. B. Hartke, A. Charvat, M. Reich, B. Abel, J. Chem. Phys. 116, 3588 (2002)
18. F. Schulz, B. Hartke, Chem. Phys. Chem. 3, 98 (2002)
19. B. Hartke, Angew, Chem. 114, 1534 (2002); Int. Ed. 41, 1468 (2002)
20. B. Hartke, Angew, Chem. 114, 1534 (2002); Int. Ed. 41, 1468 (2002)
21. Clusters of atoms and molecules, edited by H. Haberland, Springer Series in Chemical Physics (Springer, Berlin, 1994), Vol. 52
22. J. Kim, D. Majumdar, H.M. Lee, K.S. Kim, J. Chem. Phys. 110, 9128 (1999)
23. J. Sadlej, V. Buch, J.K. Kazimirski, U. Buck, J. Phys. Chem. A 103, 4933 (1999)
24. E.M. Mas, R. Bukowski, K. Szalewicz, G.G. Groenenboom, P.E.S. Wormer, A. van der Avoird, J. Chem. Phys. 113, 6687, 6702 (2000)
25. K. Liu, M.G. Brown, C. Carter, R.J. Saykally, J.K. Gregory, D.C. Clary, Nature 381, 501 (1996)
26. K. Nauta, R.E. Miller, Science 287, 293 (2000)
27. J. Sadlej, Chem. Phys. Lett. 333, 485 (2001)
28. M.P. Hodges, D.J. Wales, Chem. Phys. Lett. 324, 279 (2000)
29. C.J. Burnham, S.S. Xantheas, J. Chem. Phys. 116, 5115 (2002)
30. H. Partridge, D.W. Schwenke, J. Chem. Phys. 106, 4618 (1997)
31. C.J. Burnham, S.S. Xantheas, J. Chem. Phys. 116, 1479, 1493, 1500 (2002)
32. P.M. Holland, A.W. Castleman Jr, J. Chem. Phys. 72, 5984 (1980)