Communication: Dynamical embedding: Correct quantum response from coupling TDDFT for a small cluster with classical near-field electrodynamics for an extended region

Journal of Chemical Physics

Volumn 138, Issue 18, 2013, Pages

  Gao, Yi ^a   Neuhauser, Daniel ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL ELECTRODYNAMICS; COMPUTATIONAL EFFORT; COULOMB POTENTIAL; DIFFERENTIAL SPECTRA; NEAR-FIELD METHOD; PLASMONIC RESPONSE; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT DENSITY;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELDS;

ELECTRODYNAMICS;

EID: 84877940774     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4804544     Document Type: Article

References (27)

1. R. P. Van Duyne, Science 306, 985 (2004). 10.1126/science.1104976
2. D. Neuhauser and K. Lopata, J. Chem. Phys. 127, 154715 (2007). 10.1063/1.2790436
3. A. J. White, M. Sukharev, and M. Galperin, Phys. Rev. B 86, 205324 (2012). 10.1103/PhysRevB.86.205324
4. A. O. Govorov and Z. Fan, ChemPhysChem 13, 2551 (2012). 10.1002/cphc.201100958
5. J. Zuloaga, E. Prodan, and P. Nordlander, Nano Lett. 9, 887 (2009). 10.1021/nl803811g
6. P. Song, P. Nordlander, and S. Gao, J. Chem. Phys. 134, 074701 (2011). 10.1063/1.3554420
7. S. M. Morton, D. W. Silverstein, and L. Jensen, Chem. Rev. 111, 3962 (2011). 10.1021/cr100265f
8. A. Taflove, Advances in Computational Electrodynamics: The Finite-Difference Time-Domain Method (Artech House, Boston, 1998).
9. E. Prodan, C. Radloff, N. J. Halas, and P. Nordlander, Science 302, 419 (2003). 10.1126/science.1089171
10. A. Coomar, C. Arntsen, K. A. Lopata, S. Pistinner, and D. Neuhauser, J. Chem. Phys. 135, 084121 (2011). 10.1063/1.3626549
11. D. J. Masiello and G. C. Schatz, Phys. Rev. A 78, 042505 (2008). 10.1103/PhysRevA.78.042505
12. J. L. Payton, S. M. Morton, J. E. Moore, and L. Jensen, J. Chem. Phys. 136, 214103 (2012). 10.1063/1.4722755
13. R. Esteban, A. G. Borisov, P. Nordlander, and J. Aizpurua, Nat. Commun. 3, 825 (2012). 10.1038/ncomms1806
14. Y. Gao and D. Neuhauser, J. Chem. Phys. 137, 074113 (2012). 10.1063/1.4745847
15. N. Govind, Y. A. Wang, and E. A. Carter, J. Chem. Phys. 110, 7677 (1999). 10.1063/1.478679
16. J. D. Goodpaster, N. Ananth, F. R. Manby, and T. F. Miller III, J. Chem. Phys. 133, 084103 (2010). 10.1063/1.3474575
17. C. Huang, M. Pavone, and E. A. Carter, J. Chem. Phys. 134, 154110 (2011). 10.1063/1.3577516
18. A. Liebsch, Electronic Excitations at Metal Surfaces (Plenum Press, New York, 1997).
19. J. M. Lastra, J. W. Kaminski, and T. A. Wesolowski, J. Chem. Phys. 129, 074107 (2008). 10.1063/1.2969814
20. W. Liang, X. Li, L. R. Dalton, B. H. Robinson, and B. E. Eichinger, J. Phys. Chem. B 115, 12566 (2011). 10.1021/jp2069896
21. J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002). 10.1088/0953-8984/14/11/302
22. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991). 10.1103/PhysRevB.43.1993
23. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
24. V. M. Silkin, E. V. Chulkov, and P. M. Echenique, Phys. Rev. Lett. 93, 176801 (2004). 10.1103/PhysRevLett.93.176801
25. W. Ku and A. G. Eguiluz, Phys. Rev. Lett. 82, 2350 (1999). 10.1103/PhysRevLett.82.2350
26. C. A. Ullrich, U. J. Gossmann, and E. K. Gross, Phys. Rev. Lett. 74, 872 (1995). 10.1103/PhysRevLett.74.872
27. M. R. Silva-Junior, M. Schreiber, S. P. Sauer, and W. Thiel, J. Chem. Phys. 129, 104103 (2008). 10.1063/1.2973541