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ferre n density functional methods excited states 2016

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Textbook in PDF format The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Many-Body Perturbation Theory (MBPT) and Time-Dependent Density-Functional Theory (TD-DFT): MBPT Insights About What Is Missing In, and Corrections To, the TD-DFT Adiabatic Approximation Constricted Variational Density Functional Theory Approach to the Description of Excited States Ensemble DFT Approach to Excited States of Strongly Correlated Molecular Systems Reduced Density Matrix Functional Theory (RDMFT) and Linear Response Time-Dependent RDMFT (TD-RDMFT) Excitons in Time-Dependent Density-Functional Theory Dynamical Processes in Open Quantum Systems from a TDDFT Perspective: Resonances and Electron Photoemission Nonlinear Spectroscopy of Core and Valence Excitations Using Short X-Ray Pulses: Simulation Challenges Computational Molecular Electronic Spectroscopy with TD-DFT Absorption Spectroscopy, Emissive Properties, and Ultrafast Intersystem Crossing Processes in Transition Metal Complexes: TD-DFT and Spin-Orbit Coupling Surface Hopping Dynamics with DFT Excited States Description of Conical Intersections with Density Functional Methods

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Ferre N. Density-Functional Methods for Excited States 2016.pdf 8.9 MB

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ferre n density functional methods excited states 2016