Quantum interference in molecular wires: Electron propagator calculations

Journal of Physical Chemistry C

Volumn 112, Issue 35, 2008, Pages 13769-13774

  Wheeler, William D ^a   Dahnovsky, Yuri ^a  

^a UNIVERSITY OF WYOMING   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON PROPAGATORS; EXPERIMENTAL DATA; GEOMETRY OPTIMIZATIONS; GOLD ELECTRODES; METAL ELECTRODES; MOLECULAR WIRES; QUANTUM INTERFERENCES; SPATIAL CONFIGURATIONS;

COMPUTATIONAL METHODS; ELECTRIC FIELDS; ELECTROMAGNETIC FIELD THEORY; ELECTROMAGNETIC FIELDS; GOLD; METALLIZING; METALS; TUNNEL JUNCTIONS;

ELECTRODES;

EID: 52749098912     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp804799g     Document Type: Article

References (56)

1. Seminario, J. M.; Derosa, J. M. J. Am. Chem. Soc. 2001,123,12418.
2. Joachim, C; Vinuesa, J. F. Europhys. Lett. 1996, 33.
3. Magoga, M.; Joachim, C. Phys. Rev. B 1997, 56, 4722.
4. Tikhonov, A.; Coalson, R. D.; Dahnovsky, Yu. J. Chem. Phys. 2002, 116, 10909.
5. Tikhonov, A.; Coalson, R. D.; Dahnovsky, Yu. J. Chem. Phys. 2002, 117, 567.
6. Lang, N. D.; Avouris, Ph. Phys. Rev. Lett. 2000, 84, 358.
7. DiVentra, M.; Pantelides, S. T.; Lang, N. D. Phys. Rev. Lett. 2000, 84, 979.
8. Tomfohr, J.; Sankey, O. F. J. Chem. Phys. 2004, 120, 1542.
9. Kosov, D. S. J. Chem. Phys. 2004, 120, 7165.
10. Kosov, D. S. J. Chem. Phys. 2003, 119, 1 (2003)
11. Evers, F.; Weigend, F.; Koentopp, M. Phys. Rev. B 2004, 69, 235411.
12. Koentopp, M.; Burke, K.; Evers, F. Phys. Rev. B 2006, 73, 121403(R).
13. Arnold, A.; Weigend, F.; Evers, F. J. Chem. Phys. 2007,126,17410.
14. Scmitteckert, P.; Evers, P. Phys. Rev. Lett. 2008, 100, 08640.
15. Kozhushner, M. A.; Polyanskii, V. S.; Oleynik, I. I. Chem. Phys. 2005, 319, 368.
16. Kozhushner, M. A.; Polyanskii, V. S.; Oleynik, I.I. Phys. Rev. B 2006, 74, 165103.
17. Oleynik, I.I.; Kozhushner, M. A.; Polyanskii, V. S.; Yu, L. Phys. Rev. Lett. 2006, 96, 096803.
18. Dahnovsky, Yu.; Zakrzewski, V.; Kletsov, A.; Ortiz, J. V. J. Chem. Phys. 2005, 123, 184711.
19. Dahnovsky, Yu.; Ortiz, J. V. J. Chem. Phys. 2005, 124, 144114.
20. Dolgounitcheva, O.; Zakrzewski, V. G.; Kletsov, A.; Sterling, M. R.; Dahnovsky, Yu.; Ortiz, J. V. Int. J. Quantum Chem. 2006, 106, 3387.
21. Sterling, M. R.; Dolgounitcheva, O.; Zakrzewski, V. G.; Dahnovsky, Yu.; Ortiz, J. V. Int. J. Quantum Chem. 2007, 707, 3228.
22. Kletsov, A.; Dahnovsky, Yu. J. Chem. Phys. 2007, 127, 144716.
23. Linderberg, J.; Ohrn, Y. Propagators in Quantum Chemistry; Wiley-Interscience: Hoboken, NJ, 2004.
24. Szabo, A.; Ostlund, N. S. Modern Quantum Chemistry; Dover Publications: New York, 1996.
25. Jörgensen, P.; Simons, J. Second Quantization-based Methods in Quantum Chemistry; Academic Press: New York, 1981.
26. (a) Niessen, W.; Schirmer, J.; Cederbaum, L. S. Comput. Phys. Rep. 1984, 1, 3228.
27. (b) Ortiz, J. V. In Advances in Quantum Chemistry; Sabin, J. R., Trickey, S. B., Eds.; Academic Press: New York, 1999; Vol. 35, p 33.
28. (c) Csanak, G.; Taylor, H. S.; Yaris, R. In Advances in Atomic and Molecular Physics; Bates, D. R., Esterman, I., Eds.; Academic Press: New York, 1971; Vol. 7, p 287.
29. (d) Öhrn, Y.; Bom, G. In Advances in Quantum Chemistry; Löwdin, P. O., Ed; Academic Press: New York, 1981; Vol. 13, p 1.
30. (e) Herman, M. F.; Freed, K. F.; Yeager, D. L. In Advances in Chemical Physics; Prigogine, I., Rice, S. A., Eds.; Wiley: New York, 1981; Vol. 48, p 1.
31. (f) Cederbaum, L. S.; Domke, W. In Advances in Chemical Physics; Prigogine, I., Rice, S. A., Eds.; Wiley: New York, 1977; Vol. 36, p 205.
32. Row, D. J. Rev. Mod. Phys. 1968, 40, 153.
33. Shibuya, T.; McKoy, V. Phys. Rev A 1970, 2, 2208.
34. Simons, J.: Smith, W. D. J. Chem. Phys. 1973, 58, 4899.
35. Purvis, G. D.; Ohm, Y. Chem. Phys. Lett. 1975, 33, 396.
36. Jörgensen, P.; Simons, J. J. Chem. Phys. 1978, 63, 5320.
37. Guevara-Garca, A.; Martnez, A.; Ortiz, J. V. J. Chem. Phys. 2006, 124, 214304.
38. Ortiz, J. V. Int. J. Quantum Chem. 2004,100, 5.
39. Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. J. Am. Chem. Soc. 2005,127, 8240.
40. Li, X.; Kuznetsov, A. E.; Zhang, H.-F.; Boldyrev, A. I.; Wang, L.-S. Science 2001, 291, 859.
41. Alexandrova, A. N.; Boldyrev, A. I.; Zhai, H.-J.; Wang, L. S. Coord. Chem, Rev. 2006, 250, 2811.
42. Boldyrev, A. I.; Wang, L. S. Chem. Rev. 2005,105, 3716.
43. Kuznetsov, A. E.; Birch, K. A.; Boldyrev, A. I.; Li, X.; Zhai, H.-J.; Wang, L. S. Science 2003, 300, 622.
44. Gaussian 03, Revision D.02; Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao. O.; Nakai. H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adaroo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian, Inc., Wallingford, CT, 2004.
45. Reed, M. A.; Zhou, C; Muller, C. J.; Burgin, T. P.; Tour, J. M. Science 1997, 278, 252.
46. Xiao, X.; Xu, B.; Tao, N. J. Nano Lett. 2004, 4, 267.
47. Linsay, S. M.; Ratner, M. A. Adv. Mater. 2007,19, 23.
48. Mahan, G. D. Many-Particle Physics; Kluwer: New York, 2000.
49. Migdal. A. B. Theory of Finite Fermi-Systems and Properties of Atomic Nuclei (in Russian); Nauka: Moscow, 1983.
50. Abrikosov, A. A.; Gor'kov, L. G.; Dzyaloshinski, I. E. Methods of Quantum Field Theory in Statistical Physics; Dover: New York, 1963.
51. Kadanov, L. P.; Baym, G. Quantum Statistical Mechanics; W.A. Benjamin: New York, 1962.
52. Meir, Y.; Wingreen, N. S. Phys. Rev. Lett. 1992, 68, 2512.
53. Jauho, A.-P.; Wingreen, N. S.; Meir, Y. Phys. Rev. B 1994, 50, 5528.
54. Haug, H.; Jauho, A.-P. Quantum Kinetics in Transport and Optics of Semiconductors; Springer: New York, 1996.
55. Krüger, D.; Fuchs, H.; Rousseau, R.; Marx, D.; Parrinello, M. J. Chem. Phys. 2001, 115, 4776.
56. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.