Journal of Chemical Physics
Feedback | Help | Exit
The Journal of Chemical Physics
Search:
   
 
 
 
Previous Article
A least-constraint principle for population dynamics and reaction kinetics: Modeling entropy-controlled chemical hypercycles
In this paper, we investigate the treatment of constraints in rate equations describing the temporal evolution of biological populations or chemical reactions. We present a formulation for arbitrary h...
Next Article
Universal perturbative explicitly correlated basis set incompleteness correction
Basis set incompleteness error for an arbitrary approximate electronic wave function is robustly reduced using a second-order perturbative correction into a basis of explicitly correlated, internally ...

Nonequilibrium Fock space for the electron transport problem

J. Chem. Phys. 131, 171102 (2009); doi:10.1063/1.3262519

Published 3 November 2009

You are logged in to this journal.

D. S. Kosov
Department of Physics and Center for Nonlinear Phenomena and Complex Systems, Université Libre de Bruxelles, Campus Plaine, CP 231, Blvd du Triomphe, B-1050 Brussels, Belgium
Based on the formalism of thermofield dynamics we propose a concept of nonequilibrium Fock space and nonequilibrium quasiparticles for quantum many-body system in nonequilibrium steady state. We develop a general theory as well as demonstrate the utility of the approach on the example of electron transport through the interacting region. The proposed approach is compatible with advanced quantum chemical methods of electronic structure calculations such as coupled cluster theory and configuration interaction. ©2009 American Institute of Physics
History: Received 2 September 2009; accepted 21 October 2009; published 3 November 2009
Permalink: http://link.aip.org/link/?JCPSA6/131/171102/1
FULL TEXT OPTIONS   (FREE)
Download HTML Download Sectioned HTML Download PDF (93 kB) View Cart

KEYWORDS and PACS

Keywords
PACS
  • 31.15.bw
    Coupled-cluster theory
  • 03.65.Ta
    Foundations of quantum mechanics; measurement theory
  • 31.15.am
    Ab initio relativistic configuration interaction (CI) and many-body perturbation calculations (atoms and molecules)
  • YEAR: 2009

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (25)
View in Separate Window/Tab
  1. L. Venkataraman, J. Klare, I. Tam, C. Nuckolls, M. Hybertsen, and M. Steigerwald, Nano Lett. 6, 458 (2006). [MEDLINE] [ChemPort]
  2. C. A. Martin, D. Ding, H. S. J. van der Zant, and J. M. van Ruitenbeek, New J. Phys. 10, 065008 (2008).
  3. L. H. Yu and D. Natelson, Nano Lett. 4, 79 (2004).
  4. M. Elbing, R. Ochs, M. Koentopp, M. Fischer, C. von Hänisch, F. Weigend, F. Evers, H. Weber, and M. Mayor, Proc. Natl. Acad. Sci. U.S.A. 102, 8815 (2005). [MEDLINE]
  5. J. Taylor, H. Guo, and J. Wang, Phys. Rev. B 63, 245407 (2001).
  6. A. Arnold, F. Weigend, and F. Evers, J. Chem. Phys. 126, 174101 (2007). [ISI] [MEDLINE]
  7. M. Galperin, A. Nitzan, and M. A. Ratner, Phys. Rev. B 76, 035301 (2007). [ISI]
  8. Y. Dahnovsky, J. Chem. Phys. 127, 014104 (2007). [ISI] [MEDLINE]
  9. Z. Li and D. S. Kosov, Phys. Rev. B 76, 035415 (2007). [ISI]
  10. H. Umezawa, Advanced Field Theory: Micro, Macro, and Thermal Physics (Springer, New York, 1995).
  11. T. Hatsuda, Nucl. Phys. A. 492, 187 (1989). [Inspec] [ISI]
  12. A. V. Avdeenkov, D. S. Kosov, and A. I. Vdovin, Mod. Phys. Lett. A 11, 853 (1996). [Inspec] [ISI] [ChemPort]
  13. A. Dzhioev, Z. Aouissat, A. Storozhenko, A. Vdovin, and J. Wambach, Phys. Rev. C 69, 014318 (2004). [ISI]
  14. P. A. Henning, Phys. Rep. 253, 235 (1995). [Inspec] [ChemPort]
  15. M. Suzuki, J. Stat. Phys. 42, 1047 (1986). [ISI]
  16. P. Gaspard, Prog. Theor. Phys. Suppl. 165, 33 (2006).
  17. M. F. Gelin and D. S. Kosov, Phys. Rev. E 80, 022101 (2009).
  18. M. Gell-Mann and F. Low, Phys. Rev. 84, 350 (1951). [ChemPort]
  19. R. Aronson, Phys. Rev. 145, 46 (1966).
  20. N. N. Bogolyubov, Sov. Phys. Usp. 2, 236 (1959)
    21. [Usp. Fiz. Nauk 67, 549 (1959)]. [ISI]
  21. T. Prosen, New J. Phys. 10, 043026 (2008).
  22. L. D. Landau, Sov. Phys. JETP 3, 920 (1957) [ISI]
    23. [Zh. Eksp. Teor. Fiz. 30, 1058 (1956)]. [ChemPort]
  23. N. N. Bogoliubov, Sov. Phys. JETP 7, 41 (1958) [ISI] [ChemPort]
    24. [Zh. Eksp. Teor. Fiz. 34, 58 (1958)].
  24. R. J. Bartlett and M. Musial, Rev. Mod. Phys. 79, 291 (2007). [ISI]
  25. Y. Q. Xue, S. Datta, and M. A. Ratner, Chem. Phys. 281, 151 (2002).






Copyright © American Institute of Physics