Nonequilibrium configuration interaction method for transport in correlated quantum systems

Dzhioev, Alan A., and Kosov, D.S. (2014) Nonequilibrium configuration interaction method for transport in correlated quantum systems. Journal of Physics A: Mathematical and Theoretical, 47 (9). pp. 1-17.

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Abstract

We present a new approach to treat correlations in nonequilibrium quantum many-particle system. The method is based on ideas of configuration interaction theory of exact nonperturbative ground state electronic structure calculations. We use superoperator techniques in Liouville–Fock space and represent the nonequilibrium density matrix as a linear combination of all possible nonequilibrium quasiparticle excitations built on the appropriate reference state. As an example we consider the electron transport through the system with electron–phonon interaction. The concept of embedding (buffer zones between the reservoirs and the correlated quantum system) is used to derive an exact master equation for the reduced density matrix. Using approximate (truncated) expansion of the trial density matrix we obtain the linear system of equations for two-quasiparticle amplitudes. Then we compute the steady-state current and compare the result with other approaches. The current conserving property of the method is proven.

Item ID: 34645
Item Type: Article (Refereed Research - C1)
Keywords: quantum transport, nonequilibrium, superoperators
ISSN: 1751-8113
Date Deposited: 28 Aug 2014 04:23
FoR Codes: 03 CHEMICAL SCIENCES > 0307 Theoretical and Computational Chemistry > 030704 Statistical Mechanics in Chemistry @ 50%
02 PHYSICAL SCIENCES > 0206 Quantum Physics > 020699 Quantum Physics not elsewhere classified @ 50%
SEO Codes: 97 EXPANDING KNOWLEDGE > 970102 Expanding Knowledge in the Physical Sciences @ 100%
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