Time-dependent Current Density Functional Theory (TDCDFT) with Oscillator Model Exchange-Correlation (OMXC) Kernels

See detailed documentation at GitLab pages: https://drgulevich.gitlab.io/tdcdft-omxc

Requirements

C++ compiler

Armadillo C++ library

Installation

The code is build in-source with CMake. From the source folder run:

$ cmake .
$ make

will generate a static library tdcdft-omxc.a in the source directory.

Tests

Run tests:

$ cd tests
$ cmake .
$ make
$ ./tests

Examples

Run examples:

$ cd examples
$ cmake .
$ make

e.g. example qw.cpp outputs dynamics of the dipole moment which can be processed as follows:

$ ./qw > out
$ ./plot.py

Publications

1. D. R. Gulevich, Ya. V. Zhumagulov, A. V. Vagov, and V. Perebeinos, Nonadiabatic time-dependent density-functional theory at the cost of adiabatic local density approximation, Physical Review B 100 (24), 241109 (2019). arXiv: https://arxiv.org/abs/1908.10941.