Time evolution of nanoscale systems by finite difference method
Mesoscale and Nanoscale Physics
2016-03-15 v1 Other Condensed Matter
Abstract
Using finite difference method, time evolution of a typical metal molecule metal system is studied by introducing a new method to solve general related Volterra integro differential equation (IDE). Discretization in time domain is applied for one dimentional chain tight binding model in several cases by defining a matrix integro-differential equation (MIDE). Results are compatible with their analytical counterparts and show more accuracy than other numerical methods like Runge Kutta (RK). Charge transport properties in a trans polyacetylene chain are found by studying the time evolution of charge density in it and current voltage diagram is calculated.
Cite
@article{arxiv.1603.04214,
title = {Time evolution of nanoscale systems by finite difference method},
author = {Mohammad Nakhaee and S Ahmad Ketabi and M Taher Pakbaz and M Ali M Keshtan and Elham Rahmati and Zahra Abdous},
journal= {arXiv preprint arXiv:1603.04214},
year = {2016}
}