Ab initio electron propagator theory of molecular wires. II. Multiorbital terminal description

Journal of Chemical Physics

Volumn 124, Issue 14, 2006, Pages

  Dahnovsky, Yu ^a   Ortiz, J V ^b  

^a UNIVERSITY OF WYOMING   (United States)

^b KANSAS STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BRIDGE MOLECULES; ELECTRON PROPAGATORS; MOLECULAR WIRES;

ARRAYS; ELECTRIC CURRENTS; ELECTRONS; GREEN'S FUNCTION; MOLECULAR PHYSICS; NUMERICAL METHODS;

ELECTRIC WIRE;

EID: 34547236774     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2187973     Document Type: Article

References (37)

1. A. Nitzan and M. Ratner, Science 300, 1384 (2003).
2. M. A. Read, C. Zhou, C. J. Miller, T. P. Burgin, and J. M. Tour, Science 278, 252 (1997).
3. J. Park, A. Pasupathy, J. I. Goldsmith, et al., Nature (London) 417, 722 (2002).
4. W. Liang, M. P. Shores, M. Bokrath, J. R. Long, and H. Park, Nature (London) 417, 725 (2002).
5. Z. Vager and R. Naaman, Chem. Phys. 281, 305 (2002).
6. J. Linderberg and Y. Öhrn, Propagators in Quantum Chemistry, 2nd ed. (Wiley Interscience, Hoboken, NJ, 2004).
7. P. Jørgensen and J. Simons, Second Quantization-Based Methods in Quantum Chemistry (Academic, New York, 1981).
8. W. von Niessen, J. Schirmer, and L. S. Cederbaum, Comput. Phys. Rep. 1, 57 (1984).
9. J. V. Ortiz, Adv. Quantum Chem. 35, 33 (1999).
10. M. F. Herman, K. F. Freed, and D. L. Yeager, Adv. Chem. Phys. 48, 1 (1981).
11. G. Csanak, H. S. Taylor, and R. Yaris, Adv. At. Mol. Phys. 7, 287 (1971).
12. X. Li, A. E. Kuznetsov, H.-F. Zhang, A. I. Boldyrev, and L.-S. Wang, Science 291, 859 (2001).
13. Y. Xue, S. Datta, and M. A. Ratner, Chem. Phys. 281, 151 (2002).
14. C. C. Wan, J. L. Mozos, J. Wang, and H. Guo, Phys. Rev. B 55, 13393 (1997).
15. N. D. Lang and Ph. Avouris, Phys. Rev. Lett. 84, 358 (2000).
16. M. DiVentra, S. T. Pantelides, and N. D. Lang, Phys. Rev. Lett. 84, 979 (2000).
17. N. D. Lang and Ph. Avouris, Phys. Rev. B 62, 5325 (2000).
18. S. N. Rashkeev, M. DiVentra, and S. T. Pantelides, Phys. Rev. B 66, 033301 (2002).
19. J. Tomfohr and O. F. Sankey, J. Chem. Phys. 120, 1542 (2004).
20. J. Tomfohr and O. F. Sankey, Phys. Status Solidi B 226, 115 (2001).
21. X. Zhang, L. Fonseca, and A. A. Demkov, Phys. Status Solidi B 233, 59 (2002).
22. P. Damle, A. W. Gosh, and S. Datta, Chem. Phys. 281, 171 (2002).
23. S. H. Ke, H. U. Baranger, and W. Yang, Phys. Rev. B 70, 85410 (2004).
24. J. M. Seminario and P. A. Derosa, J. Am. Chem. Soc. 123, 12418 (2001).
25. P. A. Derosa and J. M. Seminario, J. Phys. Chem. B 105, 471 (2001).
26. N. E. Dahlen and R. Van Leeuwen, J. Chem. Phys. 122, 164102 (2005).
27. V. Mujica, M. A. Ratner, and O. Goscinski, Int. J. Quantum Chem. 90, 14 (2002).
28. C. González, Y. Simón-Manso, J. Battas, M. Márquez, M. Ratner, and V. Mujica, J. Phys. Chem. B 108, 18414 (2004).
29. Yu. Dahnovsky, V. G. Zakrzewski, A. Kletsov, and J. V. Ortiz, J. Chem. Phys. 123, 184711 (2005).
30. A. B. Migdal, Theory of Finite Fermi-systems and Properties of Atomic Nuclei (Nauka, Moscow, 1983) (in Russian).
31. A. A. Abrikosov, L. G. Gorkov, and I. E. Dzyaloshinski, Methods of Quantum Field Theory in Statistical Physics (Dover, New York, 1963).
32. Y. Meir and N. S. Wingreen, Phys. Rev. Lett. 68, 2512 (1992).
33. A.-P. Jauho, N. S. Wingreen, and Y. Meir, Phys. Rev. B 50, 5528 (1994).
34. H. Haug and A.-P. Jauho, Quantum Kinetics in Transport and Optics of Semiconductors (Springer, New York, 1996).
35. S. Datta, Electronic Transport in Mesoscopic Systems (Cambridge University Press, Cambridge, 1995).
36. M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., GAUSSIAN 03, Gaussian, Inc., Wallingford, CT, 2004.
37. F. R. Gantmakher, The Theory of Matrices (Chelsea, New York, 1959); ibid. (Nauka, Moscow, 1988) (in Russian).