Connectivity graph: Multiple connectivity on potential energy surface does affect the dynamics

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 76, Issue 3, 2007, Pages

  Okushima, T ^a   Niiyama, T ^a   Ikeda, K S ^a   Shimizu, Y ^a  

^a RITSUMEIKAN UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER ANALYSIS; DYNAMICS; GRAPH THEORY; PHASE EQUILIBRIA; TOPOGRAPHY; VISUALIZATION;

LENNARD-JONES CLUSTER; MULTIPLE CONNECTIVITY;

POTENTIAL ENERGY SURFACES;

EID: 34548813693     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.76.036109     Document Type: Article

References (25)

1. J. P. K. Doye and L. Meyer, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.063401 95, 063401 (2005).
2. R. S. Berry and R. Breitengraser-Kunz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.74.3951 74, 3951 (1995).
3. J. P. K. Doye, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88. 238701 88, 238701 (2002).
4. M. Menon, A. N. Andriotis, D. Strivastava, I. Ponomareva, and L. A. Chernozatonskii, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.145501 91, 145501 (2003);
5. Y.-H. Kim, I. H. Lee, K. J. Chang, and S. Lee, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.065501 90, 065501 (2003) and references cited therein.
6. S. V. Krivov, S. F. Chekmarev, and M. Karplus, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.038101 88, 038101 (2002).
7. O. M. Becker and M. Karplus, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473299 106, 1495 (1997).
8. H. W. Sheng, Nature (London) NATUAS 0028-0836 10.1038/nature04421 439, 419 (2006).
9. P. G. Debenedetti and F. H. Stillinger, Nature (London) NATUAS 0028-0836 10.1038/35065704 410, 259 (2001);
10. F. H. Stillinger, Science SCIEAS 0036-8075 10.1126/science.267.5206.1935 267, 1935 (1995).
11. M. Winterlich, G. Diezemann, H. Zimmerman, and R. Bohmer, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.235504 91, 235504 (2003).
12. B. Doliwa and A. Heuer, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.235501 91, 235501 (2003).
13. A. Heuer, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.4051 78, 4051 (1997).
14. B. Doliwa and A. Heuer, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.67.031506 67, 031506 (2003).
15. D. J. Wales, Nature (London) NATUAS 0028-0836 10.1038/29487 394, 758 (1998);
16. D. J. Wales and H. A. Scheraga, Science SCIEAS 0036-8075 10.1126/science.285.5432.1368 285, 1368 (1999).
17. For a recent review, see D. Wales, Energy Landscapes (Cambridge University Press, Cambridge, U. K. 2004).
18. P. Hänggi, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.62. 251 62, 251 (1990), and reference therein.
19. D. J. Wales, Mol. Phys. MOPHAM 0026-8976 10.1080/00268970210162691 100, 3285 (2002);
20. D. J. Wales, Mol. Phys. MOPHAM 0026-8976 10.1080/00268970410001703363 102, 891 (2004).
21. H. Eyring and E. M. Eyring, Modern Chemical Kinetics (Reinhold, New York, 1963).
22. E. W. Dijkstra, Numer. Math. NUMMA7 0029-599X 10.1007/BF01386390 1, 269 (1959).
23. For applications to discrete path sampling methods for PESs, see D. J. Wales, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1759317 121, 1080 (2004);
24. D. J. Wales, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1931587 122, 234903 (2005).
25. S. Saito, Adv. Class. Traj. Meth. 4, 105 (1999).