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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 89 (1994), S. 375-382 
    ISSN: 1432-2234
    Keywords: Polarization propagator ; Dipole oscillator strength distribution ; Mean excitation energy ; Hydrogen ; Isotopes ; Temperature
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: 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 energiesI μ, for μ=−1, 0, 1, decrease with temperature as does the dipole oscillator strength momentS(μ) for μ〉0, while the opposite is true for μ〈0. These effects are interpreted in terms of the bond length dependence of the excitation energies.
    Type of Medium: Electronic Resource
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