We present the theory and implementation of an open-ended framework for electric response properties at the level of Hartree-Fock and Kohn-Sham density functional theory that includes effects from the molecular environment modeled by the polarizable embedd ...
The instability of the Kármán vortex street is revisited under a spatio-temporal perspective that allows the taking into account of the advection of the vortices by the external flow. We analyse a simplified point vortex model and show through numerical si ...
Distributed fiber sensing possesses the unique ability to measure the distributed profile of an environmental quantity along many tens of kilometers with spatial resolutions in the meter or even centimeter scale. This feature enables distributed sensors to ...
Chinese Acad Sciences, Changchun Inst Optics Fine Mechanics And Physics2016
The diffusion layer is a critical factor affecting the temporal response of electrochemical devices. In this article, we have investigated the effect of the relaxation of the diffusion layer during the potentiodynamic sensing of ferrocenemethanol (FcMeOH) ...
We present here the coupling of a polarizable embedding (PE) model to the recently developed multiconfiguration short-range density functional theory method (MC-srDFT), which can treat multiconfigurational systems with a simultaneous account for dynamical ...
