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Density-Functional Methods for Excited States

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Cover of 'Density-Functional Methods for Excited States'

Table of Contents

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    Book Overview
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    Chapter 605 Surface Hopping Dynamics with DFT Excited States
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    Chapter 610 Excitons in Time-Dependent Density-Functional Theory
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    Chapter 611 Constricted Variational Density Functional Theory Approach to the Description of Excited States
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    Chapter 616 Dynamical Processes in Open Quantum Systems from a TDDFT Perspective: Resonances and Electron Photoemission
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    Chapter 618 Nonlinear Spectroscopy of Core and Valence Excitations Using Short X-Ray Pulses: Simulation Challenges.
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    Chapter 624 Reduced Density Matrix Functional Theory (RDMFT) and Linear Response Time-Dependent RDMFT (TD-RDMFT)
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    Chapter 630 Ensemble DFT Approach to Excited States of Strongly Correlated Molecular Systems
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    Chapter 631 Description of Conical Intersections with Density Functional Methods
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    Chapter 632 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
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    Chapter 635 Absorption Spectroscopy, Emissive Properties, and Ultrafast Intersystem Crossing Processes in Transition Metal Complexes: TD-DFT and Spin-Orbit Coupling.
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    Chapter 638 Computational Molecular Electronic Spectroscopy with TD-DFT
Attention for Chapter 618: Nonlinear Spectroscopy of Core and Valence Excitations Using Short X-Ray Pulses: Simulation Challenges.
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Chapter title
Nonlinear Spectroscopy of Core and Valence Excitations Using Short X-Ray Pulses: Simulation Challenges.
Chapter number 618
Book title
Density-Functional Methods for Excited States
Published in
Topics in current chemistry, April 2015
DOI 10.1007/128_2014_618
Pubmed ID
25863816
Book ISBNs
978-3-31-922080-2, 978-3-31-922081-9
Authors

Zhang, Yu, Hua, Weijie, Bennett, Kochise, Mukamel, Shaul, Yu Zhang, Weijie Hua, Kochise Bennett, Shaul Mukamel

Abstract

Measuring the nonlinear response of electrons and nuclei to attosecond broadband X-ray radiation has become possible by newly developed free electron lasers and high harmonic generation light sources. The design and interpretation of these novel experiments poses considerable computational challenges. In this chapter we survey the basic description of nonlinear X-ray spectroscopy signals and the electronic structure protocols which may be used for their simulation.

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Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 17 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
United States 1 6%
Unknown 16 94%

Demographic breakdown

Readers by professional status Count As %
Researcher 10 59%
Student > Master 2 12%
Student > Ph. D. Student 2 12%
Lecturer 1 6%
Student > Doctoral Student 1 6%
Other 1 6%
Readers by discipline Count As %
Physics and Astronomy 9 53%
Chemistry 8 47%

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