Self-consistent Hartree-Fock approximation for non-equilibrium electron transport through nanostructures

Gelin, M.F., and Kosov, D.S. (2008) Self-consistent Hartree-Fock approximation for non-equilibrium electron transport through nanostructures. In: Proceedings of the American Institute of Physics Conference (2008) pp. 115-121. From: Nuclei and Mesoscopic Physics: workshop on nuclei and mesoscopic physics, 20-22 October 2007, Michigan, USA.

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We present the formulation of self-consistent Hartree-Fock theory for non-equilibrium electron transport in nanostructures. The derivations are performed by our method for direct calculations of asymptotic, non-equilibrium steady state averages. We use asymptotic single-particle density matrix to approximate the molecular Hamiltonian by its Hartree-Fock form. Then we obtain the close system of coupled nonlinear integral equations for the transformation matrix, which diagonalizes the Hartree-Fock Hamiltonian, and asymptotic single particle density matrix.

Item ID: 26463
Item Type: Conference Item (Research - E1)
ISBN: 978-0-7354-0514-1
ISSN: 1551-7616
Keywords: electron transport, non-equilibrium, electron correlations
Date Deposited: 25 Jun 2013 00:06
FoR Codes: 02 PHYSICAL SCIENCES > 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics > 020201 Atomic and Molecular Physics @ 50%
03 CHEMICAL SCIENCES > 0307 Theoretical and Computational Chemistry > 030704 Statistical Mechanics in Chemistry @ 50%
SEO Codes: 97 EXPANDING KNOWLEDGE > 970102 Expanding Knowledge in the Physical Sciences @ 100%
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