Titlebook: Density-Functional Methods for Excited States; Nicolas Ferré,Michael Filatov,Miquel Huix-Rotllant Book 2016 Springer International Publish

organic-matrix

似少年

Dynamical Processes in Open Quantum Systems from a TDDFT Perspective: Resonances and Electron Photo. In a time-dependent setting, complex scaling can be used to describe excitations in the continuum as well as wave packet dynamics leading to electron emission. This process can also be treated by using open boundary conditions which allow time-dependent simulations of emission processes without ar

BUCK

Halfhearted

Description of Conical Intersections with Density Functional Methods,o erroneous description of reaction dynamics? Here we address the first part of this question and analyze the ability of several density functional approaches, including the linear-response time-dependent approach as well as the spin-flip and ensemble formalisms, to provide the correct description o