A heat capacity estimator for Fourier path integral simulations

Journal of Chemical Physics

Volumn 112, Issue 9, 2000, Pages 3990-3996

  Neirotti, J P ^a   Freeman, David L ^a   Doll, J D ^b  

^a University of Rhode Island   (United States)

^b BROWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000036828     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480999     Document Type: Article

References (22)

1. M. H. Kalos and P. A. Whitlock, Monte Carlo Methods (Wiley, New York, 1986).
2. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1987).
3. J. D. Doll, D. L. Freeman, and T. L. Beck, Adv. Chem. Phys. 78, 61 (1990).
4. J. D. Doll, M. Eleftheriou, S. A. Corcelli, and D. L. Freeman, in Quantum Monte Carlo Methods in Physics and Chemistry, edited by M. P. Nightingale and C. J. Umrgar (Kluwer, Dordrecht, 1999), p. 213.
5. B. J. Berne and D. Thirumalai, Annu. Rev. Phys. Chem. 37, 401 (1986).
6. D. M. Ceperley. Rev. Mod. Phys. 67, 279 (1995).
7. R. P. Feynman and A. R. Hibbs, Quantum Mechanics and Path Integrals (McGraw-Hill, New York, 1965).
8. M. Eleftheriou, E. Curotto, J. D. Doll, and D. L. Freeman, J. Chem. Phys. 110, 6657 (1999).
9. D. D. Frantz, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 97, 5713 (1992).
10. M. F. Herman, E. J. Bruskin, and B. J. Berne, J. Chem. Phys. 76, 5150 (1982).
11. D. L. Freeman, R. D. Coalson, and J. D. Doll, J. Stat. Phys. 43, 931 (1986).
12. M. Metropolis, A. W. Rosenbluth, M. H. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys. 21, 1087 (1953).
13. D. L. Freeman and J. D. Doll, Annu. Rev. Phys. Chem. 47, 43 (1996).
14. R. S. Berry, T. L. Beck, and H. L. Davis, Adv. Chem. Phys. 70B, 75 (1988).
15. D. D. Frantz, J. Chem. Phys. 102, 3747 (1995).
16. J. P. K. Doye and D. J. Wales, J. Chem. Phys. 102, 9659 (1995).
17. D. L. Freeman and J. D. Doll, Adv. Chem. Phys. 70B, 139 (1988).
18. T. L. Beck, J. D. Doll, and D. L. Freeman. J. Chem. Phys. 90, 5651 (1989).
19. S. W. Rick, D. L. Leitner, J. D. Doll, D. L. Freeman, and D. D. Frantz, J. Chem. Phys. 95, 6658 (1991).
20. D. L. Freeman and J. D. Doll, J. Chem. Phys. 82, 462 (1985).
21. A. Matro, D. L. Freeman, and R. Q. Topper, J. Chem. Phys. 104, 8690 (1996).
22. D. D. Frantz. D. L. Freeman, and J. D. Doll, J. Chem. Phys. 93, 2769 (1990).