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Coupled cluster vibrational spectra

Later work evaluated the two-dimensional potential energy surface using various correlation treatments including many-body perturbation theory and coupled cluster techniques Evaluation of the vibrational spectrum was explicitly anharmonic in nature, mak-... [Pg.308]

As seen above, the destruction of the resonance in the case of heavy-ion collisions is due to the coupling between surface and resonance modes. The cluster analog of nuclear surface vibrations is ionic motion. But this takes place at a much slower pace and cannot interfere dynamically with the electronic resonances. The plasmon is thus more robust against varying excitation mechanisms. There remains, however, the static aspect of the enormous surface distortions during nuclear fusion. Such a distortion could also be produced in the analogous process of cluster fission. And, indeed, it has been found that there is a chance to dissolve the plasmon into a broad, fragmented spectrum... [Pg.273]

The IR spectrum of NiCO isolated in solid argon gave assignments to Vi, V3 and V5 modes, with isotopic shifts.The IR spectrum of CO adsorbed on Nin clusters shows the presence of 4 (vibrationally-coupled) CO molecules per cluster. FTIR spectra (vCO) were used to probe the effects of co-adsorption of on-top CO on bridge CO on a Ni(lll) surface.The FTIR spectrum of CO on an anodic nickel oxide surface had a band at 2112 cm assigned to CO adsorbed to Ni(II) or Ni(0) sites perturbed by oxidation of neighbouring nickel atoms. The geometry of CO or NO coordination on NiO(lll) thin films was deduced from the vCO and vNO values. [Pg.324]


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See also in sourсe #XX -- [ Pg.168 , Pg.181 ]




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Cluster coupled

Cluster spectra

Coupled spectra

Spectra) coupling

Vibration coupled

Vibrational cluster

Vibrational coupled cluster

Vibrations, coupling

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