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We present a new numerical method for solving the Boltzmann-Poisson system which describes charge transport in semiconductor devices.
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The equation describes charged species transport through different media by convection, diffusion, or migration.
Besides, many of the ab initio methods fail in describing charge distribution in mixed-valence complexes.
The combination of the Cole Cole model and the Miller Abrahams function are a good approach to describe charge a.c.
An electrochemical-thermal (ECT) coupling model for LiCoO2 battery is proposed to describe charge and discharge behaviors.
It is now well established that the two-bath model can be used to describe charge heating and charge energy loss rate by charge-phonon scattering [8].
The complete active space self-consistent field (CASSCF) method [50, 51] is believed to be the most reliable for describing charge distribution in mixed-valence complexes [50].
We propose a computationally efficient method to describe charge evolution based on the observation that atomic charges evolve significantly only during chemical reactions and in a repeatable manner.
Further, we utilize the simplicity of the resulting approximate weighting potential to extend the well-known Hecht equation, describing charge induction in a parallel plate detector, to that approximating the multi-dimensional charge induction within a pixelated detector.
Advances in quantum chemistry in the past half century provide reliable methods to explore the electronic structure of molecules; however, many of the ab initio techniques fail in describing charge distribution in mixed-valence complexes.
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