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Published February 15, 1970 | public
Journal Article

Exchange kinetic energy, contragradience, and chemical binding

Abstract

The energy components of the G1 wavefunction for H_2 are carefully analyzed. It is found that the binding is dominated by the exchange part of the kinetic energy and that this term is dominant because of the contragradience of the orbitals in the bond region.

Additional Information

© 1969 Published by Elsevier B.V. Received 13 January 1970. Partially supported by grants (GP-6965 and GP-15423) from the National Science Foundation. Arthur Amos Noyes Laboratory of Chemical Physics Contribution No. 3994

Additional details

Created:
August 19, 2023
Modified:
October 18, 2023