Erratum: Gate-induced intramolecular charge transfer in a tunnel junction: A nonequilibrium analysis (Journal of Physical Chemistry C (2013) 117:20 (10257-10263) DOI:10.1021/jp312776c);Gate-induced intramolecular charge transfer in a tunnel junction: A nonequilibrium analysis

Journal of Physical Chemistry C

Volumn 117, Issue 20, 2013, Pages 10257-10263

  Baratz, Adva ^a   Galperin, Michael ^b   Baer, Roi ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER;

CONDUCTANCE CHANNELS; DENSITY FUNCTIONALS; DONOR AND ACCEPTOR; ELECTRONIC CONDUCTANCE; INTRA-MOLECULAR CHARGE TRANSFER; MOLECULAR JUNCTION; NONEQUILIBRIUM ANALYSIS; QUANTUM MASTER EQUATIONS;

TUNNEL JUNCTIONS;

EID: 84878158461     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4073476     Document Type: Erratum

References (39)

1. Baratz, A.; Baer, R. Nonmechanical Conductance Switching in a Molecular Tunnel Junction J. Phys. Chem. Lett. 2012, 3, 498-502
2. Evers, F.; Weigend, F.; Koentopp, M. Conductance of Molecular Wires and Transport Calculations Based on Density-Functional Theory Phys. Rev. B 2004, 69, 235411
3. Di Ventra, M.; Pantelides, S. T.; Lang, N. D. First-Principles Calculation of Transport Properties of a Molecular Device Phys. Rev. Lett. 2000, 84, 979
4. Taylor, J.; Guo, H.; Wang, J. Ab Initio Modeling of Quantum Transport Properties of Molecular Electronic Devices Phys. Rev. B 2001, 63, 245407
5. Brandbyge, M.; Mozos, J.-L.; Ordejón, P.; Taylor, J.; Stokbro, K. Density-Functional Method for Nonequilibrium Electron Transport Phys. Rev. B 2002, 65, 165401
6. Landauer, R. Spatial Variation of Currents and Fields Due to Localized Scatterers in Metallic Conduction IBM J. Res. Dev. 1957, 1, 223
7. Koentopp, M.; Chang, C.; Burke, K.; Car, R. Density Functional Calculations of Nanoscale Conductance J. Phys.: Condens. Matter 2008, 20, 083203
8. Schmitteckert, P.; Evers, F. Exact Ground State Density-Functional Theory for Impurity Models Coupled to External Reservoirs and Transport Calculations Phys. Rev. Lett. 2008, 100, 086401
9. Baer, R.; Livshits, E.; Salzner, U. "Tuned" Range-Separated Hybrids in Density Functional Theory Annu. Rev. Phys. Chem. 2010, 61, 85-109
10. Stein, T.; Kronik, L.; Baer, R. Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory J. Am. Chem. Soc. 2009, 131, 2818-2820
11. Stein, T.; Eisenberg, H.; Kronik, L.; Baer, R. Fundamental Gaps of Finite Systems from the Eigenvalues of a Generalized Kohn-Sham Method Phys. Rev. Lett. 2010, 105, 266802
12. Palacios, J. J. Coulomb Blockade in Electron Transport through a C-{60} Molecule from First Principles Phys. Rev. B 2005, 72, 125424
13. Schoeller, H.; Schon, G. Mesoscopic Quantum Transport-Resonant-Tunneling in the Presence of a Strong Coulomb Interaction Phys. Rev. B 1994, 50, 18436-18452
14. Utsumi, Y.; Martinek, J.; Schon, G.; Imamura, H.; Maekawa, S. Nonequilibrium Kondo Effect in a Quantum Dot Coupled to Ferromagnetic Leads Phys. Rev. B 2005, 71, 245116
15. Leijnse, M.; Wegewijs, M. R. Kinetic Equations for Transport through Single-Molecule Transistors Phys. Rev. B 2008, 78, 235424
16. Koller, S.; Grifoni, M.; Leijnse, M.; Wegewijs, M. R. Density-Operator Approaches to Transport through Interacting Quantum Dots: Simplifications in Fourth-Order Perturbation Theory Phys. Rev. B 2010, 82
17. Ovchinnikov, I. V.; Neuhauser, D. A Liouville Equation for Systems Which Exchange Particles with Reservoirs: Transport through a Nanodevice J. Chem. Phys. 2005, 122, 024707
18. Schaller, G.; Kiesslich, G.; Brandes, T. Transport Statistics of Interacting Double Dot Systems: Coherent and Non-Markovian Effects Phys. Rev. B 2009, 80, 245107
19. Pedersen, J. N.; Wacker, A. Tunneling through Nanosystems: Combining Broadening with Many-Particle States Phys. Rev. B 2005, 72, 195330
20. Esposito, M.; Galperin, M. Transport in Molecular States Language: Generalized Quantum Master Equation Approach Phys. Rev. B 2009, 79, 205303
21. Esposito, M.; Galperin, M. Self-Consistent Quantum Master Equation Approach to Molecular Transport J. Phys. Chem. C 2010, 114, 20362-20369
22. Wingreen, N. S.; Meir, Y. Anderson Model out of Equilibrium-Noncrossing- Approximation Approach to Transport through a Quantum-Dot Phys. Rev. B 1994, 49, 11040-11052
23. Sivan, N.; Wingreen, N. S. Single-Impurity Anderson Model out of Equilibrium Phys. Rev. B 1996, 54, 11622-11629
24. Hettler, M. H.; Kroha, J.; Hershfield, S. Nonequilibrium Dynamics of the Anderson Impurity Model Phys. Rev. B 1998, 58, 5649-5664
25. Eckstein, M.; Werner, P. Nonequilibrium Dynamical Mean-Field Calculations Based on the Noncrossing Approximation and Its Generalizations Phys. Rev. B 2010, 82, 115115
26. Oh, J. H.; Ahn, D.; Bubanja, V. Transport Theory of Coupled Quantum Dots Based on the Auxiliary-Operator Method Phys. Rev. B 2011, 83, 205302
27. White, A. J.; Galperin, M. Inelastic Transport: A Pseudoparticle Approach Phys. Chem. Chem. Phys. 2012, 14, 13809-13819
28. White, A. J.; Fainberg, B. D.; Galperin, M. Collective Plasmon-Molecule Excitations in Nanojunctions: Quantum Consideration J. Phys. Chem. Lett. 2012, 3, 2738-2743
29. Sandalov, I.; Johansson, B.; Eriksson, O. Theory of Strongly Correlated Electron Systems: Hubbard-Anderson Models from an Exact Hamiltonian, and Perturbation Theory near the Atomic Limit within a Nonorthogonal Basis Set Int. J. Quantum Chem. 2003, 94, 113-143
30. Fransson, J. Nonequilibrium Theory for a Quantum Dot with Arbitrary on-Site Correlation Strength Coupled to Leads. Phys. Rev. B 2005, 72.
31. Sandalov, I.; Nazmitdinov, R. G. Shell Effects in Nonlinear Magnetotransport through Small Quantum Dots Phys. Rev. B 2007, 75, 075315
32. Galperin, M.; Nitzan, A.; Ratner, M. A. Inelastic Transport in the Coulomb Blockade Regime within a Nonequilibrium Atomic Limit Phys. Rev. B 2008, 78, 125320
33. Yeganeh, S.; Ratner, M. A.; Galperin, M.; Nitzan, A. Transport in State Space: Voltage-Dependent Conductance Calculations of Benzene-1,4-dithiol Nano Lett. 2009, 9, 1770-1774
34. Lindblad, G. Generators of Quantum Dynamical Semigroups Commun. Math. Phys. 1976, 48, 119-130
35. Davies, E. B. Quantum Theory of Open Systems; Academic Press: London; New York, 1976.
36. Kohen, D.; Marston, C. C.; Tannor, D. J. Phase Space Approach to Theories of Quantum Dissipation J. Chem. Phys. 1997, 107, 5236-5253
37. Breuer, H.-P.; Petruccione, F. The Theory of Open Quantum Systems; Oxford University Press: Oxford; New York, 2002.
38. Nitzan, A. Chemical Dynamics in Condensed Phases: Relaxation, Transfer and Reactions in Condensed Molecular Systems; Oxford University Press: Oxford; New York, 2006.
39. Harbola, U.; Esposito, M.; Mukamel, S. Quantum Master Equation for Electron Transport through Quantum Dots and Single Molecules Phys. Rev. B 2006, 74, 235309