Ab initio modeling of optical properties of organic molecules and molecular complexes

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Volumn 3993 LNCS - III, Issue , 2006, Pages 89-96

  Gavrilenko, Vladimir I ^a  

^a NORFOLK STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC EXCITATION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; RANDOM PROCESSES;

DENSITY FUNCTIONAL THEORY (DFT); ELECTRONIC EXCITATION; MOLECULAR COMPLEXE; POLY-PHENYLENE-VINYLENES (PPV);

OPTICAL PROPERTIES;

EID: 33746607687     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/11758532_14     Document Type: Conference Paper

References (15)

1. Kohn W., Sham, L., J. Phys. Rev., 140 (1965) A1133-A1143
2. Rohlfing M., Luie S. G., Phys. Rev. Lett. 82 (1999) 1959-1962
3. Onida G., Reining L., Rubio A., Rev. Mod. Phys. 74 (2002) 601-633.
4. Barford W., Electronic and Optical Properties of Conjugated Polymers, Oxford University Press, New York (2005)
5. Gavrilenko V. I., Bechstedt F., Phys. Rev. B 55 (1997) 4343-4352
6. Gavrilenko V. I., Noginov M. A., J. Chem. Phys. 124 (2006) 44301-44306
7. Material Studio Modeling 3.2, Accelrys Software Inc. 2004.
8. Fuchs M., Schefler M., Comput. Phys. Commun., 16 (1999) 1-18
9. Gavrilenko V. I., Phys. Status Solidi (a), 188, (2001) 1267-1280
10. Troullier N., Martins J. L., Phys. Rev. B, 43 (1991) 1993-1998
11. Perdew J. P., Burke K., Ernzerhof M., Phys. Re. Lett., 77 (1996) 3865-3875
12. Yu P., Cardona M., Fundamentals of Semiconductors, Springer-Verlag, Berlin Heidelberg New York (2001)
13. Adolph B, Gavrilenko V. I., Tenelsen K., Bechstedt F., Del Sole R., Phys. Rev. B, 53 (1996) 9797-9808.
14. Bonner C. E., Jr., Charter S., Lorts A., Gavrilenko V.I. SPIE Int. Conf. on Optics and Photonics, (San Diego 2006), (submitted).
15. Frolov S., Bao Z., Wohlgenannt M., Vardeny Z.V., Phys. Rev. B 65 (2002) 205209-205218