Time-dependent framework for energy and charge currents in nanoscale systems

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

Abstract

The calculation of time-dependent charge and energy currents in nanoscale systems is a challenging task. Nevertheless it is crucial for gaining a deep understanding of the relevant processes at the nanoscale. We extend the auxiliary-mode approach for time-dependent charge transport to allow for the calculation of energy currents for arbitrary time dependencies. We apply the approach to two illustrative examples, a single-level system and a benzene ring, demonstrating its usefulness for a wide range of problems beyond simple toy models, such as molecular devices.

Details

Original languageEnglish
Pages (from-to)176-182
Number of pages7
JournalChemical physics
Volume514
Publication statusPublished - 25 Oct 2018
Peer-reviewedYes

External IDs

ORCID /0000-0001-8121-8041/work/142240896

Keywords

Keywords

  • Charge current, Energy current, Non-adiabatic, Time-dependent