Partition Density Functional Theory
Other Condensed Matter
2015-05-13 v2 Materials Science
Abstract
Partition density functional theory is a formally exact procedure for calculating molecular properties from Kohn-Sham calculations on isolated fragments, interacting via a global partition potential that is a functional of the fragment densities. An example is given and consequences discussed.
Cite
@article{arxiv.0901.0942,
title = {Partition Density Functional Theory},
author = {Peter Elliott and Kieron Burke and Morrel H. Cohen and Adam Wasserman},
journal= {arXiv preprint arXiv:0901.0942},
year = {2015}
}
Comments
Revised version. 5 pages, 3 figures