منابع مشابه
Time-Dependent Thermal Transport Theory.
Understanding thermal transport in nanoscale systems presents important challenges to both theory and experiment. In particular, the concept of local temperature at the nanoscale appears difficult to justify. Here, we propose a theoretical approach where we replace the temperature gradient with controllable external blackbody radiations. The theory recovers known physical results, for example, ...
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Classical molecular dynamics (MD) provides a powerful and widely used approach to determining thermodynamic properties by integrating the classical equations of motion of a system of atoms. Time-Dependent Density Functional Theory (TDDFT) provides a powerful and increasingly useful approach to integrating the quantum equations of motion for a system of electrons. TDDFT efficiently captures the ...
متن کاملTime-dependent density functional theory for quantum transport.
Based on our earlier works [X. Zheng et al., Phys. Rev. B 75, 195127 (2007); J. S. Jin et al., J. Chem. Phys. 128, 234703 (2008)], we propose a rigorous and numerically convenient approach to simulate time-dependent quantum transport from first-principles. The proposed approach combines time-dependent density functional theory with quantum dissipation theory, and results in a useful tool for st...
متن کاملField Dependent Charge Carrier Transport for Organic Semiconductors at the Time of Flight Configuration
In this paper, we used the time-of-flight (TOF) of a charge packet, that injected by a voltage pulse to calculate the drift velocity and mobility of holes in organic semiconducting polymers. The technique consists in applying a voltage to the anode and calculating the time delay in the appearance of the injected carriers at the other contact. The method is a simple way to determine the charge t...
متن کاملTime-Dependent Perturbation Theory
Our starting point is the set of eigenstates n of the unperturbed Hamiltonian 0 n H n E n = , notice we are not labeling with a zero, no 0 n E , because with a time-dependent Hamiltonian, energy will not be conserved, so it is pointless to look for energy corrections. What happens instead, provided the perturbation is not too large, is that the system makes transitions between the eigenstates n...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2015
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.115.056801