GPAW
Features and algorithms
Installation
Documentation
Manual
Commandline tools
Advanced topics
LCAO Mode
Parallel runs
Convergence Issues
Restart files
The residual minimization method
Orthogonalizing the wave functions
External potential
XC Functionals
Exact exchange
RPA correlation energy
Advanced Poisson solvers
Keldysh Green functions
Timedependent densityfunctional theory (TDDFT)
Timepropagation TDDFT
Timepropagation TDDFT with LCAO
Linear response TDDFT
Linear response TDDFT 2  indexed version
Linear dielectric response of an extended system: theory
Induced electric near field from TDDFT
Classical electrodynamics
BetheSalpeter Equation  Theory
Quasiparticle spectrum in the GW approximation: theory
Delta SelfConsistent Field
Density Of States
XRay Absorption Spectroscopy (XAS)
Density Mixing
SCF Convergence Evaluation
Command line interface
Note on electrostatic potential
Eigenvalues of core states
Grids
Setup generation
Literature
Introduction to PAW
Utilities
Tutorials
Exercises
Atomic PAW Setups
Release notes
Contact
Frequently Asked Questions
Development
Summer schools
Workshops
Bugs!
GPAW
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Timedependent densityfunctional theory (TDDFT)
¶
Currently two different approaches are available:
Timepropagation TDDFT
Ground state
Optical photoabsorption spectrum
Fourier transformed density
Time propagation
TDDFT reference manual
Timepropagation TDDFT with LCAO
Realtime propagation of LCAO functions
Example usage
General notes about basis sets
Parallelization
Modular analysis tools
Advanced tutorials
References
Linear response TDDFT
Ground state
Calculating the Omega Matrix
Extracting the spectrum
Testing convergence
Analysing the transitions
Relaxation in the excited state
Quick reference
Linear response TDDFT 2  indexed version
Ground state
Calculating response matrix and spectrum
Restarting, recalculating and analyzing spectrum
Quick reference
Linear dielectric response of an extended system: theory
Introduction
Noninteracting density response function
Interacting density response function
Dielectric function and its relation to spectra
The fsum rule
Optical limit (q > 0)
Hilbert Transform
PAW terms
Induced electric near field from TDDFT
Timepropagation TDDFT
Linear response TDDFT (Casida’s equation)
References
Documentation
v: 1.4.0
Versions
1.4.1b1 (development)
1.4.0 (latest stable)