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The relative importance of temperature and isotope effects on the dipole oscillator strength distribution of H2
Authors:John R. Sabin  Ivana Paidarová  Jens Oddershede
Affiliation:(1) Quantum Theory Project, University of Florida, 32611 Gainesville, USA;(2) Kemisk Institut, Odense Universitet, DK-5230 Odense M, Denmark;(3) J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 18223 Prague, Czech Republic
Abstract:
Summary The calculation of the effects of temperature and isotopic composition on the energy weighted moments of the dipole oscillator strength distribution of H2 in the random phase approximation to the polarization propagator are reported. It is seen that the effect of isotopic composition is small, while that of temperature is of an order accessible to experiment. We find that all the mean excitation energiesImgr, for mgr=–1, 0, 1, decrease with temperature as does the dipole oscillator strength momentS(mgr) for mgr>0, while the opposite is true for mgr<0. These effects are interpreted in terms of the bond length dependence of the excitation energies.
Keywords:Polarization propagator  Dipole oscillator strength distribution  Mean excitation energy  Hydrogen  Isotopes  Temperature
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