What is it about?
The authors Siłkowski andPachucki [J. Chem. Phys. 152, 174308 (2020)] have done invaluable work at producing such accurate calculations for a wide range of internu-clear distances R. Their work recovered 98% of the Herring-Flicker (HF) coefficient as the leading coefficient of the asymptotic expansion for the exchange energy splitting, but we are of the opinion that until further data or analysis says otherwise, we can infer that 100% of the HF coefficient is confirmed.
Featured Image
Photo by Terry Vlisidis on Unsplash
Why is it important?
This comment vindicates the Herring-Flicker result, namely the lead asymptotic term of the exchange energy splitting between the two lowest states of the Hydrogen atom H_2 for large internuclear distances.
Perspectives
This vindicates the Holstein-Herring Method encourages examination of the exchange energy splitting of higher excited states of H_2 vs calculations for large internuclear distances R.
Dr Tony Cyril Scott
RWTH-Aachen University
Read the Original
This page is a summary of: Comment on “Long-range asymptotics of exchange energy in the hydrogen molecule” [J. Chem. Phys. 152, 174308 (2020)], The Journal of Chemical Physics, February 2025, American Institute of Physics,
DOI: 10.1063/5.0239295.
You can read the full text:
Resources
Contributors
The following have contributed to this page
