- Access by Xinjiang University
Microscopic derivation of time-dependent density functional methods
Phys. Rev. E 71, 031203 – Published 18 March, 2005
DOI: https://doi.org/10.1103/PhysRevE.71.031203
Abstract
Time-dependent density functional methods (TDDFM) are studied from the microscopic viewpoint using projection operator methods in classical liquids. A density field is defined without averaging, so that a time evolution equation of the density field is derived with a random force. The derived equation includes a free energy functional, which is different from that defined in the TDDFM. The projection operator method provides the exact expression of the free energy functional. Another definition of the density field by an average leads to the equation of the TDDFM. In addition, an equation describing fluctuations is also derived.
Article Text
References (36)
- B. Bagchi and A. Chandra, Proc.-Indian Acad. Sci., Chem. Sci. 100, 353 (1988).
- A. Chandra and B. Bagchi, Chem. Phys. Lett. 151, 47 (1988).
- A. Chandra and B. Bagchi, J. Chem. Phys. 91, 1829 (1989).
- A. Yoshimori, T. J. F. Day, and G. N. Patey, J. Chem. Phys. 108, 6378 (1998).
- T. Munakata, J. Phys. Soc. Jpn. 59, 1299 (1990).
- J. Araki and T. Munakata, Phys. Rev. E 52, 2577 (1995).
- A. Yoshimori, J. Chem. Phys. 105, 5971 (1996).
- K. Fuchizaki and K. Kawasaki, J. Phys. Soc. Jpn. 67, 1505 (1998).
- K. Fuchizaki and K. Kawasaki, J. Phys. Soc. Jpn. 67, 2158 (1998).
- A. Yoshimori, J. Theor. Comput. Chem. 3, 117 (2004).
- S. Yoshida, F. Hirata, and T. Munakata, Phys. Rev. E 54, 1763 (1996).
- T. Munakata, S. Yoshida, and F. Hirata, Phys. Rev. E 54, 3687 (1996).
- A. Yoshimori, J. Mol. Liq. 90, 29 (2001).
- U. M. B. Marconi and P. Tarazona, J. Chem. Phys. 110, 8032 (1999).
- F. Penna and P. Tarazona, J. Chem. Phys. 119, 1766 (2003).
- F. Penna, J. Dzubiella, and P. Tarazona, Phys. Rev. E 68, 061407 (2003).
- J. Dzubiella and C. N. Likos, J. Phys.: Condens. Matter 15, L147 (2003).
- A. J. Archer and R. Evans, J. Chem. Phys. 121, 4246 (2004).
- U. M. B. Marconi and P. Tarazona, J. Phys. A 12, 413 (2000).
- A. J. Archer and M. Rauscher, J. Phys. A 37, 9325 (2004).
- A. Yoshimori, Phys. Rev. E 59, 6535 (1999).
- D. W. Oxtoby, in Liquids, Freezing, and Glass Transition, edited by J. P. Hansen, D. Levesque, and J. Zinn-Justin (North-Holland, Amsterdam, 1991), p. 145.
- K. Kawasaki, J. Stat. Phys. 93, 527 (1998).
- T. Munakata, Phys. Rev. E 67, 022101 (2003).
- K. Kawasaki and J. D. Gunton, Phys. Rev. A 8, 2048 (1973).
- K. Kawasaki, J. Phys.: Condens. Matter 12, 6343 (2000).
- D. Zubarev, V. Morozov, and G. Röpke, Statistical Mechanics of Nonequilibrium Processes (Akademie-Verlag, Berlin, 1996), Vol. 1, Chap. 2.
- H. Frusawa and R. Hayakawa, Phys. Rev. E 60, R5048 (1999).
- H.-J. Woo and X. Song, J. Chem. Phys. 114, 5637 (2001).
- H. Mori and H. Fujisaka, Prog. Theor. Phys. 49, 764 (1973).
- K. Kawasaki, J. Phys. A 6, 1289 (1973).
- H. Mori, Prog. Theor. Phys. 33, 423 (1965).
- D. S. Dean, J. Phys. A 29, L613 (1996).
- H. Frusawa and R. Hayakawa, J. Phys. A 33, L155 (2000).
- K. Nishiyama and T. Okada, J. Phys. Chem. A 101, 5729 (1997).
- K. Nishiyama and T. Okada, J. Phys. Chem. A 102, 9729 (1998).