Title
Computation of many-particle quantum trajectories with exchange interaction: Application to the simulation of nanoelectronic devices
Date Issued
14 August 2013
Access level
open access
Resource Type
journal article
Author(s)
Alarcón A.
Cartoixà X.
Oriols X.
Universitat Autònoma de Barcelona
Publisher(s)
Institute of Physics Publishing
Abstract
Following Oriols (2007 Phys. Rev. Lett. 98 066803), an algorithm to deal with the exchange interaction in non-separable quantum systems is presented. The algorithm can be applied to fermions or bosons and, by construction, it exactly ensures that any observable is totally independent of the interchange of particles. It is based on the use of conditional Bohmian wave functions which are solutions of single-particle pseudo-Schrödinger equations. The exchange symmetry is directly defined by demanding symmetry properties of the quantum trajectories in the configuration space with a universal algorithm, rather than through a particular exchange-correlation functional introduced into the single-particle pseudo-Schrödinger equation. It requires the computation of N2 conditional wave functions to deal with N identical particles. For separable Hamiltonians, the algorithm reduces to the standard Slater determinant for fermions (or permanent for bosons). A numerical test for a two-particle system, where exact solutions for non-separable Hamiltonians are computationally accessible, is presented. The numerical viability of the algorithm for quantum electron transport (in a far-from-equilibrium time-dependent open system) is demonstrated by computing the current and fluctuations in a nano-resistor, with exchange and Coulomb interactions among electrons. © 2013 IOP Publishing Ltd.
Volume
25
Issue
32
Number
325601
Language
English
OCDE Knowledge area
Nano-materiales Ingeniería eléctrica, Ingeniería electrónica
Scopus EID
2-s2.0-84880794652
Source
Journal of Physics Condensed Matter
ISSN of the container
1361648X
Sources of information: Directorio de Producción Científica Scopus