Density-Functional Theory for Time-Dependent Systems
The response of an interacting many-particle system to a time-dependent external field can usually be treated within linear response theory. Due to rapid experimental progress in the field of laser…
Density Functional Theory: An Approach to the Quantum Many-Body Problem
- E. Gross, R. Dreizler, Gross E.K.U.
- Physics
- 1991
Density functional theory is a rapidly developing branch of many-particle physics that has found applications in atomic, molecular, solid state and nuclear physics. This text describes the conceptual…
Density-Functional Theory
- S. Kurth, M. Marques, E. Gross
- Physics, Mathematics
- 1990
Time-dependent density functional theory.
- M. Marques, E. Gross
- PhysicsAnnual review of physical chemistry (Print)
- 29 April 2004
An overview of TDDFT from its theoretical foundations to several applications both in the linear and in the nonlinear regime is given.
octopus: a tool for the application of time‐dependent density functional theory
We report on the background, current status, and current lines of development of the octopus project. This program materializes the main equations of density‐functional theory in the ground state,…
Fundamentals of time-dependent density functional theory
- M. Marques, N. Maitra, F. Nogueira, E. Gross, Á. Rubio
- Chemistry, Physics
- 15 March 2012
Part I Theory and Experiment - Why We Need TDDFT.- Part II Basic Theory.- PartIII Advanced Concepts.- Part IV Real-Time Dynamics.- Part V Numerical Aspects.- Part VI TDDFT vs Other Theoretical…
DENSITY FUNCTIONAL THEORY OF TIME-DEPENDENT PHENOMENA
- E. Gross, J. Dobson, M. Petersilka
- Physics
- 1996
A density-functional formalism comparable to the theory of Hohenberg, Kohn and Sham is developed for electronic systems subject to time-dependent external fields. The formalism leads to a set of…
Quantum optimal control theory
- J. Werschnik, E. Gross
- Physics
- 12 July 2007
The control of quantum dynamics via specially tailored laser pulses is a long-standing goal in physics and chemistry. Partly, this dream has come true, as sophisticated pulse-shaping experiments…
Reproducibility in density functional theory calculations of solids
- K. Lejaeghere, G. Bihlmayer, S. Cottenier
- Computer ScienceScience
- 25 March 2016
A procedure to assess the precision of DFT methods was devised and used to demonstrate reproducibility among many of the most widely used DFT codes, demonstrating that the precisionof DFT implementations can be determined, even in the absence of one absolute reference code.
Exact factorization of the time-dependent electron-nuclear wave function.
For the H(2)(+) molecular ion exposed to a laser field, the TDPES proves to be a useful interpretive tool to identify different mechanisms of dissociation.
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