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. 2019 Jul 9;7:377. doi: 10.3389/fchem.2019.00377

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Copyright © 2019 Golze, Dvorak and Rinke.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Self-energy matrix elements for the HOMO of a single water molecule obtained with G₀W₀, evGW₀ and level-aligned G₀W₀. In all three cases PBE is used as starting point. The inlet shows the graphical solutions of the QP equation. See Appendix C for further computational details.