Complex absorbing potential based Lorentzian fitting scheme and time dependent quantum transport
Mesoscale and Nanoscale Physics
2015-06-22 v1 Computational Physics
Quantum Physics
Abstract
Based on the complex absorbing potential (CAP) method, a Lorentzian expansion scheme is developed to express the self-energy. The CAP-based Lorentzian expansion of self-energy is employed to solve efficiently the Liouville-von Neumann equation of one-electron density matrix. The resulting method is applicable for both tight-binding and first-principles models, and is used to simulate the transient currents through graphene nanoribbons and a benzene molecule sandwiched between two carbon-atom-chains.
Keywords
Cite
@article{arxiv.1409.4856,
title = {Complex absorbing potential based Lorentzian fitting scheme and time dependent quantum transport},
author = {Hang Xie and Yanho Kwok and Feng Jiang and Xiao Zheng and GuanHua Chen},
journal= {arXiv preprint arXiv:1409.4856},
year = {2015}
}
Comments
This paper is about a methodology development on the time dependent quantum transport theory. It has 22 pages and 6 figures