Progress in time-dependent density-functional theory
ME Casida, M Huix-Rotllant - Annual review of physical …, 2012 - annualreviews.org
The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and
Sham in the mid-1960s is based on the idea that the complicated N-electron wave function …
Sham in the mid-1960s is based on the idea that the complicated N-electron wave function …
Time-dependent density-functional theory: concepts and applications
CA Ullrich - 2011 - books.google.com
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of
interacting electronic many-body systems formally exactly and in a practical and efficient …
interacting electronic many-body systems formally exactly and in a practical and efficient …
Tuned range-separated hybrids in density functional theory
We review density functional theory (DFT) within the Kohn-Sham (KS) and the generalized
KS (GKS) frameworks from a theoretical perspective for both time-independent and time …
KS (GKS) frameworks from a theoretical perspective for both time-independent and time …
Time-dependent density-functional theory for molecules and molecular solids
ME Casida - Journal of Molecular Structure: THEOCHEM, 2009 - Elsevier
Time-dependent density-functional theory (TDDFT) has become a well-established part of
the modern theoretical chemist's toolbox for treating electronic excited states. Yet, though …
the modern theoretical chemist's toolbox for treating electronic excited states. Yet, though …
Perspective: How to overcome dynamical density functional theory
D de Las Heras, T Zimmermann… - Journal of Physics …, 2023 - iopscience.iop.org
We argue in favour of developing a comprehensive dynamical theory for rationalizing,
predicting, designing, and machine learning nonequilibrium phenomena that occur in soft …
predicting, designing, and machine learning nonequilibrium phenomena that occur in soft …
Trajectory‐based nonadiabatic dynamics with time‐dependent density functional theory
Understanding the fate of an electronically excited molecule constitutes an important task for
theoretical chemistry, and practical implications range from the interpretation of atto‐and …
theoretical chemistry, and practical implications range from the interpretation of atto‐and …
Time-dependent density functional theory
MAL Marques, EKU Gross - A Primer in Density Functional Theory, 2003 - Springer
Time-dependent density-functional theory (TDDFT) extends the basic ideas of ground-state
density-functional theory (DFT) to the treatment of excitations and of more general time …
density-functional theory (DFT) to the treatment of excitations and of more general time …
A brief compendium of time-dependent density functional theory
CA Ullrich, Z Yang - Brazilian Journal of Physics, 2014 - Springer
Time-dependent density functional theory (TDDFT) is a formally exact approach to the time-
dependent electronic many-body problem which is widely used for calculating excitation …
dependent electronic many-body problem which is widely used for calculating excitation …
Excited states from time-dependent density functional theory
Time-dependent density functional theory (TDDFT) is presently enjoying enormous
popularity in quantum chemistry, as a useful tool for extracting electronic excited state …
popularity in quantum chemistry, as a useful tool for extracting electronic excited state …
Adiabatic approximation in nonperturbative time-dependent density-functional theory
We construct the exact exchange-correlation potential of time-dependent density-functional
theory and the approximation to it that is adiabatic but exact otherwise. For the strong-field …
theory and the approximation to it that is adiabatic but exact otherwise. For the strong-field …