Nature Communications (Sep 2020)

Clarifying the quantum mechanical origin of the covalent chemical bond

  • Daniel S. Levine,
  • Martin Head-Gordon

DOI
https://doi.org/10.1038/s41467-020-18670-8
Journal volume & issue
Vol. 11, no. 1
pp. 1 – 8

Abstract

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The origin of the covalent H–H bond is understood to be driven by kinetic energy lowering. Here the authors show this is not the case for bonds between heavier elements likely due to the presence of core electrons, and that constructive quantum interference instead drives bond formation.