LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory

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Authors: Ryky Nelson, Christina Ertural, Janine George, Volker L. Deringer, Geoffroy Hautier, Richard Dronskowski

Journal title: Journal of Computational Chemistry

Journal number: 41/21

Journal publisher: John Wiley & Sons Inc.

Published year: 2020

Published pages: 1931-1940

DOI identifier: 10.1002/jcc.26353

ISSN: 0192-8651