| Autor: |
Nakhaee, Mohammad, Ketabi, S Ahmad, Pakbaz, M Taher, Keshtan, M Ali M, Rahmati, Elham, Abdous, Zahra |
| Rok vydání: |
2016 |
| Předmět: |
|
| Druh dokumentu: |
Working Paper |
| Popis: |
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. |
| Databáze: |
arXiv |
| Externí odkaz: |
|
