Rovibrational levels of HD

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Date

2010

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ROYAL SOCIETY OF CHEMISTRY

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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.

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Polish Ministry of Science and Higher Education Project No. N N204 015338

Keywords

Hydrogen molecule, Explicitly correlated wave function, HD, QED corrections, Nonadiabatic corrections, Relativistic corrections, Dissociation energy, Nonadiabatic perturbation theory (NAPT)

Citation

PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 12 Issue: 32 Pages: 9188-9196

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Uniwersytet im. Adama Mickiewicza w Poznaniu
Biblioteka Uniwersytetu im. Adama Mickiewicza w Poznaniu
Ministerstwo Nauki i Szkolnictwa Wyższego