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Electron localisation descriptors in ONETEP: a tool for interpreting localisation and bonding in large-scale DFT calculations (2020)

First Author: Clements R

Attributed to: Support for the UKCP consortium funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1088/2516-1075/ab8d19

Publication URI: http://dx.doi.org/10.1088/2516-1075/ab8d19

Type: Journal Article/Review

Parent Publication: Electronic Structure

Issue: 2