Correlation functions in quantized Hamilton dynamics and quantal cumulant dynamics

Journal of Chemical Physics

Volumn 129, Issue 14, 2008, Pages

  Pereverzev, Yuriy V ^a   Pereverzev, Andrey ^b   Shigeta, Yasuteru ^c   Prezhdo, Oleg V ^a  

^a UNIVERSITY OF WASHINGTON   (United States)

^b University of Houston   (United States)

^c UNIVERSITY OF TSUKUBA   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; CORRELATORS; DYNAMICS; NONLINEAR SYSTEMS; POLYNOMIAL APPROXIMATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

COMPUTATIONAL EXPENSES; CORRELATION FUNCTIONS; EFFICIENT; IMAGINARY PARTS; QUANTAL CUMULANT DYNAMICS; QUANTIZED HAMILTON DYNAMICS; QUANTUM MECHANICS; REAL PARTS; TIME CORRELATION FUNCTIONS;

MECHANICS;

EID: 54949118366     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2990005     Document Type: Article

References (33)

1. M. S. Green, J. Chem. Phys. 0021-9606 19, 1036 (1951); M. S. Green, J. Chem. Phys. 0021-9606 20, 1281 (1952); M. S. Green, J. Chem. Phys. 22, 398 (1953).
2. R. Kubo, J. Phys. Soc. Jpn. 0031-9015 10.1143/JPSJ.12.570 12, 570 (1957).
3. T. Yamamoto, J. Chem. Phys. 0021-9606 10.1063/1.1731099 33, 281 (1960).
4. W. H. Miller, S. D. Schwartz, and J. W. Tromp, J. Chem. Phys. 0021-9606 10.1063/1.445581 79, 4889 (1983).
5. G. A. Voth, Adv. Chem. Phys. 0065-2385 10.1002/9780470141526.ch4 93, 135 (1996).
6. R. P. Feynman and A. R. Hibbs, Quantum Mechanics and Path Integrals (McGraw-Hill, New York, 1965).
7. D. Thirumalai and B. J. Berne, J. Chem. Phys. 0021-9606 10.1063/1.445597 79, 5029 (1983).
8. E. Gallicchio and B. J. Berne, J. Chem. Phys. 0021-9606 10.1063/1.467892 101, 9909 (1994); E. Gallicchio and B. J. Berne, J. Chem. Phys. 0021-9606 10.1063/1.472508 105, 7064 (1996).
9. E. Gallicchio, S. A. Egorov, and B. J. Berne, J. Chem. Phys. 0021-9606 10.1063/1.477420 109, 7745 (1998).
10. C. E. Creffield, E. G. Klepfish, E. R. Pike, and S. Sarkar, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.517 75, 517 (1995).
11. S. A. Egorov, E. Gallicchio, and B. J. Berne, J. Chem. Phys. 0021-9606 10.1063/1.475227 107, 9312 (1997).
12. A. Horikoshi and K. Kinugawa, J. Chem. Phys. 0021-9606 10.1063/1.1595638 119, 4629 (2003); A. Horikoshi and K. Kinugawa, J. Chem. Phys. 0021-9606 10.1063/1.1774161 121, 2891 (2004); A. Horikoshi and K. Kinugawa, J. Chem. Phys. 0021-9606 10.1063/1.1888576 122, 174104 (2005).
13. J. Cao and G. A. Voth, J. Chem. Phys. 0021-9606 10.1063/1.465512 99, 10070 (1993); J. Cao and G. A. Voth, J. Chem. Phys. 0021-9606 10.1063/1.467175 100, 5093 (1994); J. Cao and G. A. Voth, J. Chem. Phys. 0021-9606 10.1063/1.467176 100, 5106 (1994); J. Cao and G. A. Voth, J. Chem. Phys. 0021-9606 10.1063/1.468399 101, 6168 (1994); J. Cao and G. A. Voth, J. Chem. Phys. 0021-9606 10.1063/1.468400 101, 6184 (1994).
14. I. R. Craig and D. E. Manolopoulos, J. Chem. Phys. 0021-9606 10.1063/1.1777575 121, 3368 (2004); I. R. Craig and D. E. Manolopoulos, J. Chem. Phys. 0021-9606 10.1063/1.1850093 122, 084106 (2005); I. R. Craig and D. E. Manolopoulos, J. Chem. Phys. 0021-9606 10.1063/1.1954769 123, 034102 (2005).
15. J. S. Bader and B. J. Berne, J. Chem. Phys. 0021-9606 10.1063/1.466780 100, 8359 (1994).
16. S. A. Egorov and J. L. Skinner, J. Chem. Phys. 0021-9606 10.1063/1.472980 105, 10153 (1996).
17. H. Kim and P. J. Rossky, J. Chem. Phys. 0021-9606 10.1063/1.2274412 125, 074107 (2006); H. Kim and P. J. Rossky, J. Phys. Chem. 0022-3654 10.1021/jp020669n B106, 8240 (2002).
18. O. V. Prezhdo and Y. V. Pereverzev, J. Chem. Phys. 0021-9606 10.1063/1.1290288 113, 6557 (2000); O. V. Prezhdo and Y. V. Pereverzev, J. Chem. Phys. 0021-9606 10.1063/1.1451060 116, 4450 (2002).
19. E. Pahl and O. V. Prezhdo, J. Chem. Phys. 0021-9606 10.1063/1.1474585 116, 8704 (2002).
20. O. V. Prezhdo, J. Chem. Phys. 0021-9606 10.1063/1.1493776 117, 2995 (2002).
21. E. Heatwole and O. V. Prezhdo, J. Chem. Phys. 0021-9606 10.1063/1.1812749 121, 10967 (2004); E. Heatwole and O. V. Prezhdo, J. Chem. Phys. 0021-9606 10.1063/1.1931666 122, 234109 (2005).
22. O. V. Prezhdo, Theor. Chem. Acc. 1432-881X 10.1007/s00214-005-0032-x 116, 206 (2006).
23. H. Miyachi, Y. Shigeta, and K. Hirao, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2006.10.087 432, 585 (2006).
24. O. V. Prezhdo and C. Brooksby, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.86.3215 86, 3215 (2001).
25. A. Pereverzev, Y. V. Pereverzev, and O. V. Prezhdo, J. Chem. Phys. 0021-9606 10.1063/1.2844597 128, 134107 (2008).
26. Y. Shigeta, H. Miyachi, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.2404677 125, 244102 (2006); Y. Shigeta, H. Miyachi, and K. Hirao, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2007.06.064 443, 414 (2007).
27. Y. Shigeta, J. Chem. Phys. 0021-9606 10.1063/1.2917799 128, 161103 (2008).
28. R. Kubo, J. Phys. Soc. Jpn. 0031-9015 10.1143/JPSJ.17.1100 17, 1100 (1962).
29. J. E. Mayer, J. Chem. Phys. 0021-9606 10.1063/1.1749933 5, 67 (1937).
30. E. J. Heller, J. Chem. Phys. 0021-9606 10.1063/1.430620 62, 1544 (1975).
31. G. D. Billing, J. Chem. Phys. 0021-9606 10.1063/1.1357787 114, 6641 (2001).
32. K. Toukan and A. Rahman, Phys. Rev. B 0163-1829 10.1103/PhysRevB.31.2643 31, 2643 (1985).
33. N. N. Bogolubov and N. N. Bogolubov, Jr., Introduction to Quantum Statistical Mechanics, 1st ed., edited by, V. P. Gupta, and, C. J-H. Lee, (World Scientific, Singapore, 1982).