Exchange kinetic energy, contragradience, and chemical binding
C. Woodrow Wilson Jr., William A. Goddard III
1970Chem. Phys. Lett., 5(1), 45-4944cited
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.
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Cite this publication
Jr., C. W. W. & III, W. A. G. (1970). Exchange kinetic energy, contragradience, and chemical binding. *Chem. Phys. Lett.*, *5*(1), 45-49. https://doi.org/10.1016/0009-2614(70)80126-9