Kohn-Sham-like approach toward a classical density-functional theory of inhomogeneous polar molecular liquids: An application to liquid hydrogen chloride

Physical Review Letters

Volumn 101, Issue 21, 2008, Pages

  Lischner, Johannes ^a   Arias, T A ^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

ATOMIC SITES; CASE STUDIES; DIELECTRIC RESPONSES; DIMENSIONAL FUNCTIONS; EFFECTIVE POTENTIALS; ENERGY FUNCTIONAL; FUNCTIONAL THEORIES; GORDIAN KNOTS; LIQUID HYDROGENS; MOLECULAR LIQUIDS; POLAR SYSTEMS;

CHEMICAL SENSORS; CRYOGENIC LIQUIDS; DENSITY FUNCTIONAL THEORY; HYDROGEN; LIQUEFIED GASES; LIQUIDS; THREE DIMENSIONAL; WAVE FUNCTIONS;

DENSITY OF LIQUIDS;

EID: 56849126829     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.101.216401     Document Type: Article

References (28)

1. D. Chandler, Nature (London) NATUAS 0028-0836 437, 640 (2005). 10.1038/nature04162
2. H. Ashbaugh and L. Pratt, Rev. Mod. Phys. 78, 159 (2006). RMPHAT 0034-6861 10.1103/RevModPhys.78.159
3. P. Liu, X. Huang, R. Zhou, and B. Berne, Nature (London) NATUAS 0028-0836 437, 159 (2005). 10.1038/nature03926
4. M. Tarek and D.J. Tobias, Phys. Rev. Lett. 88, 138101 (2002). PRLTAO 0031-9007 10.1103/PhysRevLett.88.138101
5. J. Israelachvili and H. Wennerstroem, Nature (London) NATUAS 0028-0836 379, 219 (1996). 10.1038/379219a0
6. G. Hummer, J. Rasaiah, and J. Noworyta, Nature (London) NATUAS 0028-0836 414, 188 (2001). 10.1038/35102535
7. Y. Leng and P.T. Cummings, Phys. Rev. Lett. 94, 026101 (2005). PRLTAO 0031-9007 10.1103/PhysRevLett.94.026101
8. J.-P. Hansen and I. McDonald, Theory of Simple Liquids (Academic Press, London, 2006).
9. M. Allesch, E. Schwegler, F. Gygi, and G. Galli, J. Chem. Phys. 120, 5192 (2004). JCPSA6 0021-9606 10.1063/1.1647529
10. T. Hansson, C. Oostenbrink, and W. van Gunsteren, Curr. Opin. Struct. Biol. 12, 190 (2002). COSBEF 0959-440X 10.1016/S0959-440X(02)00308-1
11. T.A. Halgren and W. Damm, Curr. Opin. Struct. Biol. 11, 236 (2001). COSBEF 0959-440X 10.1016/S0959-440X(00)00196-2
12. C. Ebner, W. Saam, and D. Stroud, Phys. Rev. A 14, 2264 (1976). PLRAAN 1050-2947 10.1103/PhysRevA.14.2264
13. W.A. Curtin and N.W. Ashcroft, Phys. Rev. Lett. 56, 2775 (1986). PRLTAO 0031-9007 10.1103/PhysRevLett.56.2775
14. N. Mermin, Phys. Rev. 137, A1441 (1965). PHRVAO 0031-899X 10.1103/PhysRev.137.A1441
15. N.W. Ashcroft, Aust. J. Phys. 49, 3 (1996). AUJPAS 0004-9506
16. J.D. Weeks, K. Katsov, and K. Vollmayr, Phys. Rev. Lett. 81, 4400 (1998). PRLTAO 0031-9007 10.1103/PhysRevLett.81.4400
17. D. Chandler, J. McCoy, and S. Singer, J. Chem. Phys. 85, 5971 (1986). JCPSA6 0021-9606 10.1063/1.451510
18. D. Chandler, J. McCoy, and S. Singer, J. Chem. Phys. 85, 5977 (1986). JCPSA6 0021-9606 10.1063/1.451511
19. K. Ding, D. Chandler, S.J. Smithline, and A.D.J. Haymet, Phys. Rev. Lett. 59, 1698 (1987). PRLTAO 0031-9007 10.1103/PhysRevLett.59.1698
20. W. Kohn and L. Sham, Phys. Rev. 140, A1133 (1965). PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
21. J. Talman and W. Shadwick, Phys. Rev. A 14, 36 (1976). PLRAAN 1050-2947 10.1103/PhysRevA.14.36
22. R. Evans, Fundamentals of Inhomogeneous Fluids (Dekker, New York, 1992), p. 85.
23. W.A. Curtin and N.W. Ashcroft, Phys. Rev. A 32, 2909 (1985). PLRAAN 1050-2947 10.1103/PhysRevA.32.2909
24. C. Andreani, M. Ricci, M. Nardone, F. Ricci, and A. Soper, J. Chem. Phys. 107, 214 (1997). JCPSA6 0021-9606 10.1063/1.474368
25. V. Dubois and A. Pasquarello, J. Chem. Phys. 122, 114512 (2005). JCPSA6 0021-9606 10.1063/1.1869972
26. F.H. DeLeeuw and A. Dymanus, J. Mol. Spectrosc. 48, 427 (1973). JMOSA3 0022-2852 10.1016/0022-2852(73)90107-0
27. R. Swenson and R. Cole, J. Chem. Phys. 22, 284 (1954). JCPSA6 0021-9606 10.1063/1.1740053
28. L. Adler and C. Yaws, Solid State Technol. 19, 35 (1976). SSTEAP 0038-111X 10.1016/0022-4596(76)90147-X