## Abstract Physics is not scale invariant, and today the scale of atoms and molecules challenges designers of machines in which quantum effects have dominant sway. What role could circuit theory play in designing machines described by quantum‐classical models? Classical equivalent circuits do exis
On hybrid quantum–classical transport models
✍ Scribed by Naoufel Ben Abdallah; Shaoqiang Tang
- Publisher
- John Wiley and Sons
- Year
- 2004
- Tongue
- English
- Weight
- 213 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0170-4214
- DOI
- 10.1002/mma.494
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✦ Synopsis
Abstract
This paper contains a review on the coupling between classical models and quantum models for electron transport in semiconductors. Starting from the quantum analogue of the boundary value problem for the Vlasov equation, the coupling with the Boltzmann equation in the one‐dimensional stationary situation is reviewed for the stationary and time‐dependent problems. Then a numerical scheme based on the characteristics method is applied to the stationary hybrid model. Some mathematical properties of the scheme are proven and illustrated in some numerical experiments. Copyright © 2004 John Wiley & Sons, Ltd.
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A coherent computational scheme on a very large molecule in which the subsystem that undergoes the most important electronic changes is treated by a semiempirical quantum chemical method, though the rest of the molecule is described by a classical force field, has been proposed recently. The continu