The response of extended systems to electrostatic fields1

Canadian Journal of Chemistry

Volumn 87, Issue 7, 2009, Pages 984-993

  Springborg, Michael ^a   Kirtman, Bernard ^b  

^a SAARLAND UNIVERSITY   (Germany)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Electronic properties; Electrostatic fields; Extended systems; Polarization; Structural properties

Indexed keywords

BUILDING BLOCKES; COMPUTATIONAL APPROACH; ELECTROSTATIC FIELD; ELECTROSTATIC FIELDS; EXTENDED SYSTEMS; FINITE SYSTEMS; PERIODIC SYSTEM; SIMPLE MODEL; STRUCTURAL RESPONSE; VECTOR POTENTIAL;

ELECTRONIC PROPERTIES; ELECTROSTATICS; POLARIZATION;

STRUCTURAL PROPERTIES;

EID: 68349110873     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/V09-058     Document Type: Article

References (24)

1. This article is part of a Special Issue dedicated to Professor T. Ziegler.
2. Orr, B. J.; Ward, J. F. Mol. Phys. 1971, 20 (3), 513-526. doi: 10.1080/00268977100100481.
3. Champagne, B.; Bishop, D. M. Adv. Chem. Phys. 2003, 126, 41-92. doi:10.1002/0471428019.ch2.
4. Shi, S. Contemp. Phys. 1994, 35 (1), 21-36. doi:10.1080/ 00107519408217493.
5. Marder, S. R.; Perry, J. W. Science 1994, 263 (5154), 1706-1707. doi: 10.1126/science.263.5154.1706. PMID: 17795376.
6. Springborg, M.; Kirtman, B. Chem. Phys. Lett. 2008, 454 (1-3), 105-113. doi:10.1016/j.cplett.2008.01.078.
7. Champagne, B.; Perpete, E. A.; van Gisbergen, S. J. A.; Baerends, E.-J.; Snijders, J. G.; Soubra-Ghaoui, C; Robins, K. A.; Kirtman, B. J. Chem. Phys. 1998, 109 (23), 10489. doi:10.1063/1.477731. (Pubitemid 128678486)
8. Van Gisbergen, S. J. A.; Schipper, P. R. T.; Gritsenko, O. V.; Baerends, E. J.; Snijders, J. G.; Champagne, B.; Kirtman, B. Phys. Rev. Lett. 1999, 83 (4), 694-697. doi:10.1103/PhysRevLett.83.694.
9. Kirtman, B.; Bonness, S.; Ramirez-Solis, A.; Champagne, B.; Matsumoto, H.; Sekino, H. J. Chem. Phys. 2008, 128 (ll),o. 114108. doi:10.1063/1.2885051. PMID:18361555.
10. Ruzsinszky, A.; Perdew, J. P.; Csonka, G. I. Phys. Rev. A 2008, 78 (2),o. 022513. doi:10.1103/PhysRevA.78.022513.
11. Springborg, M.; Kirtman, B.; Dong, Y. Chem. Phys. Lett. 2004, 396 (4-6), 404-409. doi:10.1016/j.cplett.2004.08.067.
12. Springborg, M.; Kirtman, B. J. Chem. Phys. 2007, 126 (10),o. 104107. doi:10.1063/1.2711202. PMID:17362061.
13. Springborg, M.; Kirtman, B. Phys. Rev. B 2008, 77 (4),o. 045102. doi: 10.1103/PhysRevB.77.045102.;
14. Springborg, M.; Kirtman, B. Phys. Rev. B 2008, 77 (20),o. 209901. (E). doi: 10.1103/PhysRevB.77.209901.
15. Vanderbilt, D.; King-Smith, R. D. Phys. Rev. B 1993, 48 (7), 4442-4455. doi: 10.1103/PhysRevB.48.4442.
16. Kudin, K. N.; Car, R.; Resta, R. J. Chem. Phys. 2007, 127 (19),o. 194902. doi:10.1063/1.2799514. PMID:18035903.
17. Kirtman, B.; Gu, F. L.; Bishop, D. M. J. Chem. Phys. 2000, 113 (3), 1294. doi:10.1063/1.481907. (Pubitemid 30903788)
18. Bishop, D. M.; Gu, F. L.; Kirtman, B. J. Chem. Phys. 2001, 114 (17), 7633. doi:10.1063/l.1356019.
19. Blount, E. I. Solid State Phys. 1962, 13, 305.
20. King-Smith, R. D.; Vanderbilt, D. Phys. Rev. B 1993, 47 (3), 1651-1654. doi:10.1103/PhysRevB.47.1651.
21. Zerner, M. C. In Modern quantum chemistry: introduction to advanced electronic structure theory. A. Szabo and N. S. Ostlund. Eds.;. Dover Pubi.: Mineola, NY, 1989; p 437 ff.
22. Darrigan, C; Rérat, M.; Mallia, G.; Dovesi, R. J. Comput. Chem. 2003, 24 (11), 1305-1312. doi:10.1002/jcc.10274. PMID:12827671.
23. Kirtman, B.; Ferrerò, M.; Rérat, M.; Springborg, M. Unpublished.
24. Ferrerò, M.; Rérat, M.; Kirtman, B.; Dovesi, R. J. Chem. Phys. 2008, 129 (24), o. 244110. doi: 10.1063/1.3043366. PMID:19123498.