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A self-consistent ground-state formulation of the first-principles Hubbard U parameter validated on one-electron self-interaction error (2017)

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.1704.08076

Publication URI: https://arxiv.org/abs/1704.08076

Type: Preprint