Adiabatic connection from accurate wavefunction calculations
Materials Science
2009-10-31 v1
Abstract
An extremely easy method for accurately calculating the adiabatic connection of density functional theory is presented, and its accuracy tested on both Hooke's atom and the He atom. The method is easy because calculations are needed only for different values of parameters in the external potential, which can be achieved with almost any electronic structure code.
Cite
@article{arxiv.cond-mat/9910176,
title = {Adiabatic connection from accurate wavefunction calculations},
author = {Derek Frydel and William H. Terilla and Kieron Burke},
journal= {arXiv preprint arXiv:cond-mat/9910176},
year = {2009}
}
Comments
7 pages, 7 figures, submitted to J. Chem. Phys.; for similar papers, see http://crab.rutgers.edu/~kieron