New Exchange-Correlation Potentials for Quantum Transport and Other Non Equilibrium Processes as Described by Time-Dependent Density Functional Theory
نویسندگان
چکیده
منابع مشابه
Time-dependent analysis of carrier density and potential energy in spherical centered defect InGaAs/AlGaAs quantum dot (SCDQD)
Interaction and correlation effects in quantum dots play a fundamental role in defining both their equilibrium and transport properties. Numerical methods are commonly employed to study such systems. In this paper we investigate the numerical calculation of quantum transport of electrons in spherical centered defect InGaAs/AlGaAs quantum dot (SCDQD). The simulation is based on the imaginary time...
متن کاملTime-dependent analysis of carrier density and potential energy in spherical centered defect InGaAs/AlGaAs quantum dot (SCDQD)
Interaction and correlation effects in quantum dots play a fundamental role in defining both their equilibrium and transport properties. Numerical methods are commonly employed to study such systems. In this paper we investigate the numerical calculation of quantum transport of electrons in spherical centered defect InGaAs/AlGaAs quantum dot (SCDQD). The simulation is based on the imaginary time...
متن کاملThe Quantum Statistical Mechanical Theory of Transport Processes
A new derivation of the quantum Boltzmann transport equation for the Fermion system from the quantum time evolution equation for the wigner distribution function is presented. The method exhibits the origin of the time - irreversibility of the Boltzmann equation. In the present work, the spin dependent and indistinguishibility of particles are also considered.
متن کاملRectification Ratio Enhancement and Functionalized Pyrene: DFT+NEGF
Electron transport properties of pure and Oxygen and/or Methyl substituted pyrene between two semi-infinite Aluminum atomic electrodes have been investigated by means of density functional theory plus the non-equilibrium green’s function method. The electrodes were represented by a slab of Al atoms oriented along the [111] plane. The computations were carried out in the bias voltage range of 0....
متن کاملTime-dependent transport through single molecules: nonequilibrium Greens functions and TDDFT
The nomenclature quantum transport has been coined for the phenomenon of electron motion through constrictions of transverse dimensions smaller than the electron wavelength, e.g., quantum-point contacts, quantum wires, molecules, etc. To describe transport properties on such a small scale, a quantum theory of transport is required. In this section we focus on quantum transport problems whose ex...
متن کامل