A fast variational Gaussian wavepacket method: Size-induced structural transitions in large neon clusters

Journal of Chemical Physics

Volumn 135, Issue 15, 2011, Pages

  Georgescu, Ionuţ ^a   Mandelshtam, Vladimir A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFIGURATION SPACE; DIRECT ACCESS; FULLY-COUPLED; GAUSSIAN WIDTH; GAUSSIANS; LENNARD-JONES CLUSTER; MANY-BODY SYSTEMS; MATRIX; MONTE CARLO APPROACH; N-BODY SYSTEM; PATH INTEGRAL MONTE CARLO; SHORT-RANGE CORRELATIONS; STRUCTURAL MOTIFS; STRUCTURAL TRANSITIONS; THERMAL DENSITY; THERMAL EQUILIBRIUMS; WAVE-PACKET METHOD;

GAUSSIAN DISTRIBUTION; QUANTUM THEORY; THERMODYNAMIC PROPERTIES; WAVE PACKETS;

MONTE CARLO METHODS;

EID: 80155147992     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3651473     Document Type: Article

References (22)

1. P. Frantsuzov, A. Neumaier, and V. A. Mandelshtam, Chem. Phys. Lett. 381, 117 (2003). 10.1016/j.cplett.2003.09.104
2. P. A. Frantsuzov and V. A. Mandelshtam, J. Chem. Phys. 121, 9247 (2004). 10.1063/1.1804495
3. P. A. Frantsuzov, D. Meluzzi, and V. A. Mandelshtam, Phys. Rev. Lett. 96, 113401 (2006). 10.1103/PhysRevLett.96.113401
4. J. Deckman, P. A. Frantsuzov, and V. A. Mandelshtam, Phys. Rev. E 77, 052102 (2008). 10.1103/PhysRevE.77.052102
5. P. A. Frantsuzov and V. A. Mandelshtam, J. Chem. Phys. 128, 094304 (2008). 10.1063/1.2833004
6. J. Deckman and V. A. Mandelshtam, Phys. Rev. E 79, 022101 (2009). 10.1103/PhysRevE.79.022101
7. J. Deckman and V. A. Mandelshtam, J. Phys. Chem. A 113, 7394 (2009). 10.1021/jp900095f
8. J. Deckman and V. A. Mandelshtam, J. Phys. Chem. A 114, 9820 (2010). 10.1021/jp102898b
9. C. Predescu, P. A. Frantsuzov, and V. A. Mandelshtam, J. Chem. Phys. 122, 154305 (2005). 10.1063/1.1860331
10. I. Georgescu and V. A. Mandelshtam, Phys. Rev. B 82, 094305 (2010). 10.1103/PhysRevB.82.094305
11. I. Georgescu, J. Deckman, L. J. Fredrickson, and V. A. Mandelshtam, J. Chem. Phys. 134, 174109 (2011). 10.1063/1.3585648
12. J. Liu and W. H. Miller, J. Chem. Phys. 126, 234110 (2007). 10.1063/1.2743023
13. J. Liu and W. H. Miller, J. Chem. Phys. 134, 104102 (2011). 10.1063/1.3555274
14. J. Liu, J. Chem. Phys. 134, 194110 (2011). 10.1063/1.3589406
15. J. P. K. Doye and F. Calvo, J. Chem. Phys. 116, 8307 (2002). 10.1063/1.1469616
16. I. F. Silvera and V. V. Goldman, J. Chem. Phys. 69, 4209 (1978). 10.1063/1.437103
17. J. Barnes and P. Hut, Nature (London) 324, 446 (1986). 10.1038/324446a0
18. L. Greengard and V. Rokhlin, J. Comput. Phys. 73, 325 (1987). 10.1016/0021-9991(87)90140-9
19. Y. Xiang, H. Jiang, W. Cai, and X. Shao, J. Phys. Chem. A 108, 3586 (2004). 10.1021/jp037780t
20. Xiang, Cheng, Cai, and Shao, J. Phys. Chem. 108, 9516 (2004). 10.1021/jp047807o
21. X. Wu, W. Cai, and X. Shao, Chem. Phys. 363, 72 (2009). 10.1016/j.chemphys.2009.08.001
22. D. J. Wales, J. P. K. Doye, A. Dullweber, M. P. Hodges, F. Y. Naumkin, F. Calvo, J. Hernndez-Rojas, and T. F. Middleton, The Cambridge Cluster Database, see http://www-wales.ch.cam.ac.uk/CCD.html.