Pachucki, KrzysztofKomasa, Jacek2011-12-132011-12-132010PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 12 Issue: 32 Pages: 9188-9196http://hdl.handle.net/10593/1577The 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.enHydrogen moleculeExplicitly correlated wave functionHDQED correctionsNonadiabatic correctionsRelativistic correctionsDissociation energyNonadiabatic perturbation theory (NAPT)Artykuł