Please use this identifier to cite or link to this item: https://hdl.handle.net/10593/1577
Title: Rovibrational levels of HD
Authors: Pachucki, Krzysztof
Komasa, Jacek
Keywords: Hydrogen molecule
Explicitly correlated wave function
HD
QED corrections
Nonadiabatic corrections
Relativistic corrections
Dissociation energy
Nonadiabatic perturbation theory (NAPT)
Issue Date: 2010
Publisher: ROYAL SOCIETY OF CHEMISTRY
Citation: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 12 Issue: 32 Pages: 9188-9196
Abstract: The dissociation energies of all rotation-vibrational states of the molecular HD in the ground electronic state are calculated to a high accuracy by including nonadiabatic, relativistic alpha(2), and quantum electrodynamic alpha(3) effects, with approximate treatment of small higher order alpha(4), and finite nuclear size corrections. The obtained result for the ground molecular state of 36 405.7828(10) cm(-1) is in a small disagreement with the latest most precise experimental value.
Sponsorship: Polish Ministry of Science and Higher Education Project No. N N204 015338
URI: http://hdl.handle.net/10593/1577
Appears in Collections:Artykuły naukowe (WCh)

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