organic-matrix
发表于 2025-3-28 15:17:20
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似少年
发表于 2025-3-28 19:21:47
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
发表于 2025-3-28 23:47:23
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Halfhearted
发表于 2025-3-29 03:08:40
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