@Article{NMTMA-1-1,
author = {Huajie Chen and Aihui Zhou},
title = {Orbital-Free Density Functional Theory for Molecular Structure Calculations},
journal = {Numerical Mathematics: Theory, Methods and Applications},
year = {2008},
volume = {1},
number = {1},
pages = {1--28},
abstract = {<p style="text-align: justify;">We give here an overview of the orbital-free density functional
theory that is used for modeling atoms and molecules. We review
typical approximations to the kinetic energy, exchange-correlation
corrections to the kinetic and Hartree energies, and constructions
of the pseudopotentials. We discuss numerical discretizations for
the orbital-free methods and include several numerical results for
illustrations.</p>},
issn = {2079-7338},
doi = {https://doi.org/},
url = {http://global-sci.org/intro/article_detail/nmtma/6039.html}
}