THE RELATIVE IMPORTANCE OF TEMPERATURE AND ISOTOPE EFFECTS ON THE DIPOLE OSCILLATOR STRENGTH DISTRIBUTION OF H-2

Citation
Jr. Sabin et al., THE RELATIVE IMPORTANCE OF TEMPERATURE AND ISOTOPE EFFECTS ON THE DIPOLE OSCILLATOR STRENGTH DISTRIBUTION OF H-2, Theoretica Chimica Acta, 89(5-6), 1994, pp. 375-382
Citations number
32
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00405744
Volume
89
Issue
5-6
Year of publication
1994
Pages
375 - 382
Database
ISI
SICI code
0040-5744(1994)89:5-6<375:TRIOTA>2.0.ZU;2-F
Abstract
The calculation of the effects of temperature and isotopic composition on the energy weighted moments of the dipole oscillator strength dist ribution of H-2 in the random phase approximation to the polarization propagator are reported. It is seen that the effect of isotopic compos ition is small, while that of temperature is of an order accessible to experiment. We find that all the mean excitation energies I(mu), for mu = - 1, 0, 1, decrease with temperature as does the dipole oscillato r strength moment S(mu) for mu > 0, while the opposite is true for mu < 0. These effects are interpreted in terms of the bond length depende nce of the excitation energies.