Generalized density-functional theory: Extended weighted density approaches

Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

Volumn 60, Issue 3, 1999, Pages 2875-2886

  Khein, A ^a   Ashcroft, N W ^a  

^a Laboratory of Atomic and Solid State Physics and Sibley School of Mechanical and Aerospace Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE;

EID: 4243918789     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.60.2875     Document Type: Article

References (33)

1. See, R. Evans, in Fundamentals of Inhomogeneous Liquids, edited by D. Henderson (Dekker, New York, 1990), p. 85
2. N. W. Ashcroft, in Density-Functional Theory, edited by E. K. U. Gross and R. M. Dreizler (Plenum, New York, 1995), p. 581, and references cited therein.
3. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964)
4. Phys. Rev.N. D. Mermin, 137, A1441 (1965).
5. T. V. Ramakrishnan and M. Yussouff, Phys. Rev. B 19, 2775 (1979)
6. A. D. J. Haymet and D. J. Oxtoby, J. Chem. Phys. 74, 2559 (1981).
7. W. A. Curtin, J. Chem. Phys. 88, 7050 (1988).
8. A. R. Denton and N. W. Ashcroft, Phys. Rev. B 39, 4701 (1989).
9. P. Tarazona, Phys. Rev. A 31, 2672 (1985)
10. Phys. Rev. AP. Tarazona32, 3148(E) (1985)
11. Phys. Rev. AW. A. Curtin and N. W. Ashcroft, 32, 2909 (1985)
12. Phys. Rev. AT. F. Meister and D. M. Kroll, 31, 4055 (1985)
13. Phys. Rev. AR. D. Groot and J. P. van de Eerden, 36, 4356 (1987)
14. J. F. Lutsko and M. Baus, Phys. Rev. Lett. 64, 761 (1990).
15. C. N. Likos and N. W. Ashcroft, J. Chem. Phys. 99, 9090 (1993).
16. A. Khein and N. W. Ashcroft, Phys. Rev. Lett. 78, 3346 (1997).
17. N. W. Ashcroft, Aust. J. Phys. 49, 3 (1996).
18. A. R. Denton and N. W. Ashcroft, Phys. Rev. A 39, 426 (1989).
19. A. Khein and N. W. Ashcroft, Phys. Rev. E 59, 1803 (1999).
20. Other possible forms for the scaling functions are (Formula presented) and (Formula presented) where h and g are arbitrary functions. These give even more freedom in the density dependence of the scaling functions. It is important to note that the ratios defining the scaling functions must be formed from identical functions in order to satisfy sum rules obeyed at every order by the correlation functions in the homogeneous limit.
21. Y. Rosenfeld, M. Schmidt, H. Löwen, and P. Tarazona, J. Phys.: Condens. Matter 8, L577 (1996).
22. Y. Rosenfeld, Phys. Rev. Lett. 63, 980 (1989)
23. Y. RosenfeldJ. Chem. Phys. 98, 8126 (1993).
24. Other single parameter forms for (Formula presented) are possible but tend to give very similar results. For example, we could equally well have taken the form (Formula presented) and have found n using the formalism in Appendix A.
25. R. Leidl and H. Wagner, J. Chem. Phys. 98, 4142 (1993).
26. N. F. Carnahan and K. E. Starling, J. Chem. Phys. 51, 635 (1969)
27. L. Verlet and J. J. Weis, Phys. Rev. A 45, 939 (1972)
28. D. Henderson and E. W. Grundke, J. Chem. Phys. 63, 601 (1975).
29. W. G. Hoover and F. H. Ree, J. Chem. Phys. 49, 3609 (1968).
30. B. J. Alder, W. G. Hoover, and D. A. Young, J. Chem. Phys. 49, 3688 (1968)
31. J. Chem. Phys.R. S. Jones and N. W. Ashcroft, 80, 3328 (1984).
32. K. R. Hall, J. Chem. Phys. 57, 2252 (1972).
33. J. L. Barrat, J.-P. Hansen, and G. Pastore, Mol. Phys. 63, 747 (1988).