Inapplicability of exact constraints and a minimal two-parameter generalization to the DFT+$U$ based correction of self-interaction error (2016)

First Author: Moynihan G

Attributed to: In-silico development of the potential of doped metal-oxide nanotubes as novel photo-catalysts for energy applications funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.48550/arxiv.1608.07320

Publication URI: https://arxiv.org/abs/1608.07320

Type: Other