On the calculation of single-particle time correlation functions from Bose-Einstein centroid dynamics

Journal of Chemical Physics

Volumn 120, Issue 10, 2004, Pages 4614-4618

  Moffatt, Paul ^a   Blinov, Nicholas ^a   Roy, Pierre Nicholas ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; HIGH ENERGY PHYSICS; LARGE SCALE SYSTEMS; MATHEMATICAL MODELS; QUANTUM THEORY;

ANHARMONIC SYSTEMS; CENTROID FORCE;

MOLECULAR DYNAMICS;

EID: 1842426407     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1645779     Document Type: Article

References (17)

1. J. Cao and G. A. Voth, J. Chem. Phys. 100, 5106 (1994).
2. G. A. Voth, Adv. Chem. Phys. XCIII, 135 (1996).
3. S. Jang and G. A. Voth, J. Chem. Phys. 111, 2357 (1999).
4. S. Jang and G. A. Voth, J. Chem. Phys. 111, 2371 (1999).
5. R. P. Feynman and A. R. Hibbs, Quantum Mechanics and Path Integrals (McGraw-Hill, New York, 1965).
6. P.-N. Roy and G. A. Voth, J. Chem. Phys. 110, 3647 (1999).
7. P.-N. Roy, S. Jang, and G. A. Voth, J. Chem. Phys. 111, 5303 (1999).
8. N. V. Blinov, P.-N. Roy, and G. A. Voth, J. Chem. Phys. 115, 4484 (2001).
9. K. Kinugawa, H. Nagao, and K. Ohta, Chem. Phys. Lett. 307, 187 (1999).
10. S. Miura and S. Okazaki, J. Chem. Phys. 112, 10 116 (2000).
11. K. Kinugawa, H. Nagao, and K. Ohta, J. Chem. Phys. 114, 1454 (2001).
12. N. V. Blinov and P.-N. Roy, J. Chem. Phys. 115, 7822 (2001).
13. R. Kubo, M. Toda, and N. Hashitsume, Statistical Physics. II. Nonequilibrium Statistical Mechanics (Springer-Verlag, Berlin, 1991).
14. N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys. 21, 1087 (1953).
15. W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in C, 2nd ed. (Cambridge University Press. Cambridge, England, 1992).
16. P.-N. Roy and N. V. Blinov, Isr. J. Chem. 42, 183 (2002).
17. M. Frigo and S. G. Johnson, "FFTW: An adaptive software architecture for the FFT," Proceedings of the 1998 IEEE International Conference on Acoustics Speech and Signal Processing (IEEE, New York, 1998), Vol. 3, pp. 1381-1384.