Polarizability of molecular chains: A self-interaction correction approach

Physical Review B - Condensed Matter and Materials Physics

Volumn 77, Issue 12, 2008, Pages

  Pemmaraju, C D ^a   Sanvito, S ^a   Burke, K ^b  

^a TRINITY COLLEGE DUBLIN   (Ireland)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 41549123517     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.77.121204     Document Type: Article

References (29)

1. A Primer in Density Functional Theory, edited by, C. Fiolhais,,, F. Nogueira,, and, M. Marques, (Springer-Verlag, New York, 2003).
2. B. Champagne, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477731 109, 10489 (1998).
3. B. Champagne, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp993839d 104, 4755 (2000).
4. S. J. A. van Gisbergen, P. R. T. Schipper, O. V. Gritsenko, E. J. Baerends, J. G. Snijders, B. Champagne, and B. Kirtman, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.694 83, 694 (1999).
5. O. V. Gritsenko and E. J. Baerends, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.64.042506 64, 042506 (2001).
6. M. Grüning, O. V. Gritsenko, and E. J. Baerends, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1463444 116, 6435 (2002).
7. H. Iikura, T. Tsuneda, T. Yanai and K. Hirao, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1383587 115, 3540 (2001).
8. P. Mori-Sanchez, Q. Wu, and W. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1630011 119, 11001 (2003).
9. S. Kümmel, J. Comput. Phys. JCTPAH 0021-9991 10.1016/j.jcp.2004.05. 018 201, 333 (2004).
10. S. Kümmel, L. Kronik, and J. P. Perdew, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.213002 93, 213002 (2004).
11. C. Toher, A. Filippetti, S. Sanvito, and K. Burke, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.146402 95, 146402 (2005);
12. C. Toher and S. Sanvito, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.99.056801 99, 056801 (2007).
13. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
14. O. A. Vydrov, G. E. Scuseria, J. P. Perdew, A. Ruzsinszky, and G. I. Csonka, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2176608 124, 094108 (2006).
15. J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.45.101 45, 101 (1992).
16. See T. Korzdorfer, arXiv:0708.2870 v1 (unpublished).
17. P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
18. M. Levy, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.26.1200 26, 1200 (1982).
19. R. A. Heaton and C. C. Lin, J. Phys. B JPAMA4 0022-3700 10.1088/0022-3700/16/12/006 16, 2079 (1983);
20. M. R. Pederson, R. A. Heaton, and C. C. Lin, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.446959 80, 1972 (1984).
21. S. Kummel and J. P. Perdew, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.035103 68, 035103 (2003).
22. J. Garza, J. A. Nichols, and D. A. Dixon, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481421 112, 7880 (2000).
23. J. M. Soler, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/302 14, 2745 (2002).
24. J. Pipek and P. G. Mezey, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456588 90, 4916 (1989).
25. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
26. R. van Leeuwen and E. J. Baerends, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.49.2421 49, 2421 (1994).
27. M. Wierzbowska, D. Sánchez-Portal, and S. Sanvito, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.235209 70, 235209 (2004).
28. A. Filippetti and N. A. Spaldin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.125109 67, 125109 (2003).
29. C. D. Pemmaraju, T. Archer, D. Sanchez-Portal, and S. Sanvito, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.045101 75, 045101 (2007).