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TDDFT

Density Functional Theory -> TDDFTSearch on Amazon


Density functional theory of time-dependent phenomena
Author: E.K.U. Grossa , J.F. Dobsonb , and M. Petersilkaa  Language:
Contents:Introduction; Basic formalism for electrons in time-dependent electric fields 2.1 One-to-one mapping between time-dependent potentials and time-dependent densities 2.2 Stationary-action prin . . . . .
Electronic Excitations: Density-Functional VS Many-body Green\\\'s
Author: G. Onida, L. Reining, A. Rubio  Language:
Electronic excitations lie at the origin of most of the commonly measured spectra. However, the first-principles computation of excited states requires a larger effort than ground-state calculations, . . . . .
Time-dependent density-functional theory for extended systems
Author: S. Botti, A. Schindlmayr , Rodolfo Del Sole and L. Reining  Language:
For the calculation of neutral excitations, time-dependent density functional theory (TDDFT) is an exact reformulation of the many-body time-dependent Schr ̈ dinger equation, based o on knowle . . . . .
Introduction to TDDFT
Author: Eberhard K. U. Gross and Neepa T. Maitra  Language:
Introduction to TDDFT
Progress in Time-Dependent Density-Functional Theory
Author: M. E. Casida, M. Huix-Rotllant  Language:
Progress in Time-Dependent Density-Functional Theory The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and Sham in the mid-1960s, is based upon the idea that the complicated N-electron wavefunction can be replaced with . . . . .
Time-Dependent Density Functional Theory
Author: Marques, M.A.L. Gross  Language:
Time-Dependent Density Functional Theory 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-dependent phenomena. T . . . . .
Time-dependent Density Functional Theory
Author: Miguel A. L. Marques and E. K. U. Gross  Language:
This paper provides a pedagogical in troduction to TDDFT . With that in mind, they present, in section 2, a quite detailed proof of the Runge-Gross theorem, i.e. the time-dependent generalization o . . . . .
Ten topical questions in time-dependent density functional theory
Author: Maitra, Neepa T.; Burke, Kieron; Appel, Heiko; Gross, E.K.U.; Le  Language:
Ten topical questions in time-dependent density functional theory
Excited states from time-dependent density functional theory
Author: Peter Elliott, Kieron Burke, Filipp Furche  Language:
Time-dependent density functional theory (TDDFT) is presently enjoying enormous popularity in quantum chemistry, as a useful tool for extracting electronic excited state energies. This article explain . . . . .
Time-dependent density-functional response theory for molecules
Author: Mark Casida  Language:
Time-dependent density-functional response theory for molecules.
A brief compendium of time-dependent density-functional theory
Author: Carsten A. Ullrich, Zeng-hui Yang  Language:
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 energies. We present a . . . . .
A guided tour of time-dependent density functional theory
Author: K. Burke and E.K.U. Gross  Language:
In this paper the review progress in the density functional theory of time dependent phenomena. Contents: Introduction; fundamentals; exact conditions; linear response; approximated functionals; appli . . . . .
Real-Time Dynamics and Conical Intersections
Author: Mark Earl Casida, Bhaarathi Natarajan, Thierry Deutsch  Language:
This book chapter is a general introduction to photo-dynamics. An outlined structure to the theoretical studies on classical/quantum/mixed dynamics were described from the literature point of view. Su . . . . .
The Keldysh Formalism Applied to Time-Dependent Current-Density-Functional Theory
Author: Leeuwen, Robert van  Language:
In this work we demonstrate how to derive the Kohn-Sham equations of time-dependent current-density functional theory from a generating action functional defined on a Keldysh time contour. These Kohn- . . . . .

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