Inapplicability of exact constraints and a minimal two-parameter generalization to the DFT+ U based correction of self-interaction error (2016)
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/10.1103/physrevb.94.220104
Publication URI: http://dx.doi.org/10.1103/physrevb.94.220104
Type: Journal Article/Review
Parent Publication: Physical Review B
Issue: 22