Contents
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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
1
Mark E. Casida and Miquel Huix-Rotllant
Constricted Variational Density Functional Theory Approach to the
Description of Excited States . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
61
Tom Ziegler, Mykhaylo Krykunov, Issaka Seidu, and Young Choon Park
Ensemble DFT Approach to Excited States of Strongly Correlated
Molecular Systems . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
97
Michael Filatov
Reduced Density Matrix Functional Theory (RDMFT) and Linear
Response Time-Dependent RDMFT (TD-RDMFT) . . . . . . . . . . . . . . .
125
Katarzyna Pernal and Klaas J.H. Giesbertz
Excitons in Time-Dependent Density-Functional Theory . . . . . . . . . . .
185
Carsten A. Ullrich and Zeng-hui Yang
Dynamical Processes in Open Quantum Systems from a TDDFT
Perspective: Resonances and Electron Photoemission . . . . . . . . . . . . .
219
Ask Hjorth Larsen, Umberto De Giovannini, and Angel Rubio
Nonlinear Spectroscopy of Core and Valence Excitations Using Short
X-Ray Pulses: Simulation Challenges . . . . . . . . . . . . . . . . . . . . . . . . . .
273
Yu Zhang, Weijie Hua, Kochise Bennett, and Shaul Mukamel
Computational Molecular Electronic Spectroscopy with TD-DFT . . . .
347
Denis Jacquemin and Carlo Adamo
xi