Joint density-functional theory for electronic structure of solvated systems

Physical Review B - Condensed Matter and Materials Physics

Volumn 75, Issue 20, 2007, Pages

  Petrosyan, S A ^a   Briere, Jean Francois ^a   Roundy, David ^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

EID: 34347335638     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.75.205105     Document Type: Article

References (25)

1. M. Payne, M. Teter, D. Allan, T. Arias, and J. Joannopoulos, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.64.1045 64, 1045 (1992).
2. J. Seminario, Recent Developments and Applications of Modern Density Functional Theory (Elsevier, Amsterdam, 1996).
3. J. Tomasi and M. Persico, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr00031a013 94, 2027 (1994).
4. J. Tomasi, B. Menucci, R. Cammi, and M. Cossi, in Theoretical Aspects of Biochemical Reactivity, edited by, G. Naray-Szabo, and, A. Warshel, (Kluwer, Dordrecht, 1997), p. 1.
5. J.-L. Rivail and D. Rinaldi, in Computational Chemistry, Review of Current Trends, edited by, J. Leszczynski, (World Scientific, New York, 1995), p. 139.
6. C. J. Cramer and D. G. Truhlar, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr960149m 99, 2161 (1999).
7. F. J. Luque, C. Curutchet, J. M. noz Muriedas, A. Bidon-Chanal, I. Soteras, A. Morreale, J. Gelpi, and M. Orozco, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b306954k 5, 3827 (2003).
8. J. Dzubiella, J. M. J. Swanson, and J. A. McCammon, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.087802 96, 087802 (2006).
9. M. Young, B. Jayaram, and D. Beveridge, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp9823188 102, 7666 (1998).
10. N. D. Mermin, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.137.A1441 137, A1441 (1965).
11. J. Capitani, R. Nalewajski, and R. Parr, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.442703 76, 568 (1982).
12. M. Levy, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 10.1073/pnas.76.12.6062 76, 6062 (1979).
13. T. Gilbert, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.12.2111 12, 2111 (1975).
14. N. Vaidehi, T. Wesolowski, and A. Warshel, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.463928 97, 4264 (1992).
15. K. S. Kim, I. Park, S. Lee, K. Cho, J. Y. Lee, J. Kim, and J. D. Joannopoulos, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.76.956 76, 956 (1996).
16. I. Park, K. Cho, S. Lee, K. Kim, and J. Joannopoulos, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/S0927-0256(01)00152-5 21, 291 (2001).
17. S. X. Sun, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.64.021512 64, 021512 (2001).
18. T. F. Meister and D. M. Kroll, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.31.4055 31, 4055 (1985).
19. R. Ramirez and D. Borgis, J. Phys. Chem. JPCHAX 0022-3654 10.1021/jp045453v 109, 6754 (2005).
20. J. K. Percus and G. J. Yevick, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.110.1 110, 1 (1957).
21. P. R. ten Wolde, S. X. Sun, and D. Chandler, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.137.A1441 137, A1441 (1965).
22. J. K. Percus, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.8.462 8, 462 (1962).
23. G. Hura, J. M. Sorenson, R. M. Glaeser, and T. Head-Gordon, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1319614 113, 9140 (2000).
24. B. Marten, K. Kim, C. Cortis, R. Friesner, R. Murphy, M. Ringnalda, D. Sitkoff, and B. Honig., J. Phys. Chem. JPCHAX 0022-3654 10.1021/jp953087x 100, 11775 (1996).
25. T. Truong and E. Stefanovich, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(95)00541-B 240, 253 (1995).