Dynamical effects on the photo-detachment spectra of Li 4

It is shown that the observed sharp peaks in the photodetachment spectra of Li 4 − can be understood by including the effect of cluster dynamics. Theoretical electronic structure studies show that Li 4 − is marked by doublet rhombus and quartet distorted tetrahedral isomers. By including dynamical e...

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Veröffentlicht in:Chemical physics letters 2002-01, Vol.351 (3), p.289-294
Hauptverfasser: Ashman, C, Khanna, S.N, Pederson, M.R
Format: Artikel
Sprache:eng
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Zusammenfassung:It is shown that the observed sharp peaks in the photodetachment spectra of Li 4 − can be understood by including the effect of cluster dynamics. Theoretical electronic structure studies show that Li 4 − is marked by doublet rhombus and quartet distorted tetrahedral isomers. By including dynamical effects within a classical picture, it is shown that the observed spectrum can be explained in terms of transitions from rhombus ground state to the singlet neutral configurations. A vibrational analysis is used to identify the modes leading to the observed peaks. Our studies underscore the importance of dynamical effects on the photodetachment spectra.
ISSN:0009-2614
1873-4448
DOI:10.1016/S0009-2614(01)01383-5