@Article{NMTMA-1-1,
author = {},
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/2008-NMTMA-6039},
url = {https://global-sci.com/article/90767/orbital-free-density-functional-theory-for-molecular-structure-calculations}
}