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
- 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.