Clarifying the quantum mechanical origin of the covalent chemical bond

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.

Bibliographic Details
Main Authors: Daniel S. Levine, Martin Head-Gordon
Format: Article
Language:English
Published: Nature Publishing Group 2020-09-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-020-18670-8