A comparative study of imaginary time path integral based methods for quantum dynamics

Journal of Chemical Physics

Volumn 124, Issue 15, 2006, Pages

  Hone, Tyler D ^a   Rossky, Peter J ^a   Voth, Gregory A ^b  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^b UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CENTROID MOLECULAR DYNAMICS METHOD (CMD); INTEGRAL BASED METHODS; LIQUID PARA-HYDROGEN; QUANTUM CORRELATION FUNCTIONS; QUANTUM SIMULATION METHOD;

ALGORITHMS; COMPUTER SIMULATION; HYDROGEN; KINETIC ENERGY; MOLECULAR DYNAMICS; POLYMERS;

QUANTUM THEORY;

EID: 34547555319     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2186636     Document Type: Article

References (45)

1. J. Cao and G. A. Voth, J. Chem. Phys. 99, 10070 (1993).
2. J. Cao and G. A. Voth, J. Chem. Phys. 100, 5093 (1994).
3. J. Cao and G. A. Voth, J. Chem. Phys. 100, 5106 (1994).
4. J. Cao and G. A. Voth, J. Chem. Phys. 101, 6157 (1994).
5. J. Cao and G. A. Voth, J. Chem. Phys. 101, 6168 (1994).
6. M. Jarrell and J. E. Gubernatis, Phys. Rep. 269, 134 (1996).
7. D. R. Reichman and E. R. Rabani, Phys. Rev. Lett. 87, 265702 (2001).
8. X. Sun and W. H. Miller, J. Chem. Phys. 110, 6635 (1999).
9. A. Nakayama and N. Makri, J. Chem. Phys. 119, 8592 (2003).
10. J. A. Poulsen, G. Nyman, and P. J. Rossky, J. Chem. Phys. 119, 12179 (2003).
11. I. R. Craig and D. E. Manolopoulos, J. Chem. Phys. 121, 3368 (2004).
12. R. P. Feynman and A. R. Hibbs, Quantum Mechanics and Path Integrals (McGraw-Hill, New York, 1965).
13. G. A. Voth, Adv. Chem. Phys. 93, 135 (1996).
14. S. Jang and G. A. Voth, J. Chem. Phys. 111, 2357 (1999).
15. S. Jang and G. A. Voth, J. Chem. Phys. 111, 2371 (1999).
16. T. D. Hone and G. A. Voth, J. Chem. Phys. 121, 6412 (2004).
17. S. Miura, S. Okazaki, and K. Kinugawa, J. Chem. Phys. 110, 4523 (1999).
18. F. J. Bermejo, K. Kinugawa, C. Cabrillo, S. M. Bennigton, M. T. Fernandez-Diaz, P. Verkerk, J. Dawidowski, and R. Fernandez-Perea, Phys. Rev. Lett. 84, 5359 (2000).
19. K. Kinugawa, Chem. Phys. Lett. 292, 454 (1998).
20. Y. Yonetani and K. Kinugawa, J. Chem. Phys. 119, 9651 (2003).
21. H. Saito, H. Nagao, K. Nishikawa, and K. Kinugawa, J. Chem. Phys. 119, 953 (2003).
22. Y. Yonetani and K. Kinugawa, J. Chem. Phys. 120, 10624 (2004).
23. M. Pavese and G. A. Voth, Chem. Phys. Lett. 249, 231 (1996).
24. A. Calhoun, M. Pavese, and G. A. Voth, Chem. Phys. Lett. 262, 415 (1996).
25. B. J. Berne and D. Thirumalai, Annu. Rev. Phys. Chem. 37, 401 (1986).
26. I. R. Craig and D. E. Manolopoulos, J. Chem. Phys. 122, 084106 (2005).
27. I. R. Craig and D. E. Manolopoulos, J. Chem. Phys. 123, 034102 (2005).
28. T. F. Miller and D. E. Manolopoulos, J. Chem. Phys. 122, 184503 (2005).
29. I. R. Craig and D. E. Manolopoulos, Chem. Phys. 322, 236 (2006).
30. T. F. Miller and D. E. Manolopoulos, J. Chem. Phys. 123, 154504 (2005).
31. D. R. Reichman, P. N. Roy, S. Jang, and G. A. Voth, J. Chem. Phys. 113, 919 (2000).
32. M. Parrinello and A. Rahman, J. Chem. Phys. 80, 860 (1983).
33. J. Cao and B. J. Berne, J. Chem. Phys. 99, 2902 (1993).
34. J. Cao and G. J. Martyna, J. Chem. Phys. 104, 2028 (1996).
35. J. A. Poulsen, G. Nyman, and P. J. Rossky, J. Phys. Chem. B 108, 19799 (2004).
36. E. Rabani, D. R. Reichman, G. Krilov, and B. J. Berne, Proc. Natl. Acad. Sci. U.S.A. 99, 1129 (2002).
37. E. Rabani and D. R. Reichman, J. Chem. Phys. 120, 1458 (2004).
38. I. F. Silvera and V. V. Goldman, J. Chem. Phys. 69, 4209 (1978).
39. D. J. Scharf, G. J. Martyna, and M. L. Klein, J. Low Temp. Phys. 19, 365 (1993).
40. G. J. Martyna, M. L. Klein, and M. Tuckerman, J. Chem. Phys. 97, 2635 (1992).
41. M. F. Herman, E. J. Bruskin, and B. J. Berne, J. Chem. Phys. 76, 5150 (1982).
42. B. Dunweg and K. Kremer, J. Chem. Phys. 99, 6983 (1993).
43. I.-C. Yeh and G. Hummer, J. Phys. Chem. B 108, 15873 (2004).
44. B. N. Esel'son, Y. P. Blagoi, V. V. Grigor'ev, V. G. Manzhelii, S. A. Mikhailenko, and N. P. Neklyudov, Properties of Liquid and Solid Hydrogen (Israel Program for Scientific Translations, Jerusalem, 1971).
45. F. J. Bermejo, F. J. Mompean, M. Garcia-Hernandez, J. L. Martinez, D. Martin-Marero, A. Chahid, G. Senger, and M. L. Ristig, Phys. Rev. B 47, 15097 (1993).