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Time-dependent density-functional theory for strongly interacting electrons
Cort Barrada, Luis; Karlsson, Daniel; Lani, Giovanna; van Leeuwen, Robert (American Physical Society, 2017)We consider an analytically solvable model of two interacting electrons that allows for the calculation of the exact exchange-correlation kernel of time-dependent density functional theory. This kernel, as well as ... -
Many-particle theory for time-dependent quantum transport in nanostructures
Myöhänen, Petri (University of Jyväskylä, 2012)During the recent decades, molecular electronics has established its place as one of the promising fields in the nanoscience. The possibility to manufacture and control molecular junctions where single molecules are ... -
Developments in many-body theory of quantum transport and spectroscopy with non-equilibrium Green's functions and time-dependent density functional theory
Uimonen, Anna-Maija (University of Jyväskylä, 2015)The problem of quantum dynamics in open systems has gained attention in recent decades and not the least due to the advances made in quantum transport in molecular systems. The main motivation behind quantum transport ... -
Time-dependent quantum transport in nanosystems : a nonequilibrium Green's function approach
Tuovinen, Riku (University of Jyväskylä, 2016)A time-dependent extension to the Landauer–Büttiker approach to study transient quantum transport in arbitrary junctions composed of leads and conducting devices is developed. The nonequilibrium Green’s function approach ... -
Existence, uniqueness, and construction of the density-potential mapping in time-dependent density-functional theory
Ruggenthaler, Michael; Penz, Markus; van Leeuwen, Robert (Institute of Physics Publishing Ltd.; Institute of Physics, 2015)In this work we review the mapping from densities to potentials in quantum mechanics, which is the basic building block of time-dependent density-functional theory and the Kohn–Sham construction. We first present detailed ...
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