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What is the Exchange Repulsion Energy? Insight by Partitioning into Physically Meaningful Contributions

Johannes Henrichsmeyer1, Michael Thelen1, Reinhold F Fink1

  • 1Institute of Physical and Theoretical Chemistry, Auf der Morgenstelle 18, University of Tübingen, D-72076, Tübingen, Germany.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|November 21, 2024
PubMed

Keywords:
AggregationExchange energyNoncovalent interactionsPauli repulsionQuantum Chemistry

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