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Time evolution of nanoscale systems by finite difference method

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.

preprint2016arXivOpen access
Mohammad NakhaeeS Ahmad KetabiM Taher PakbazM Ali M KeshtanElham RahmatiZahra Abdous
cond-mat.mes-hallcond-mat.other
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Open access6 authors2 topics
Imported metadata coverageMissing code, dataset, citation and institution fields are tracked without dominating the paper.Details
Citations: 0Reviews: 0Saves: 0Code: not linkedDataset: not linkedInstitutions: 0

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Mohammad NakhaeeS Ahmad KetabiM Taher PakbazM Ali M KeshtanElham RahmatiZahra Abdous

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