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Journal Article

Ab initio Description of Bond-Breaking in Large Electric Fields

MPS-Authors
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Ashton,  Michael W.
Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Mishra,  Arpit
Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Neugebauer,  Jörg
Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Freysoldt,  Christoph
Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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PhysRevLett.124.176801.pdf
(Publisher version), 627KB

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Citation

Ashton, M. W., Mishra, A., Neugebauer, J., & Freysoldt, C. (2020). Ab initio Description of Bond-Breaking in Large Electric Fields. Physical Review Letters, 124(17): 176801. doi:10.1103/PhysRevLett.124.176801.


Cite as: https://hdl.handle.net/21.11116/0000-0006-4216-7
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