Unraveling excited states of doped helium clusters (Articolo in rivista)

Type
Label
  • Unraveling excited states of doped helium clusters (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp076193v (literal)
Alternative label
  • Skrbic T.; Moroni S.; Baroni S. (2007)
    Unraveling excited states of doped helium clusters
    in The journal of physical chemistry. A
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Skrbic T.; Moroni S.; Baroni S. (literal)
Pagina inizio
  • 12749 (literal)
Pagina fine
  • 12753 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 111 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 49 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • SISSA Scuola Internazionale Superiore di Studi AVanzati, and CNR-INFM DEMOCRITOS National Simulation Center, Via Beirut 2-4, 34014 Trieste, Italy (literal)
Titolo
  • Unraveling excited states of doped helium clusters (literal)
Abstract
  • We discuss the use of generalized, symmetry-adapted, imaginary-time correlation functions to study the rotational spectrum of doped helium clusters within the frame of the reptation quantum Monte Carlo method. Analysis of these correlation functions allows one to enhance the computational efficiency in the calculation of weak spectral features, as well as to get a qualitative insight into the nature of the different lines. The usefulness of this approach is demonstrated by a study of the He-CO binary complex, used as a benchmark case, as well as by preliminary results for the satellite band recently observed in the IR spectrum of the CO2 molecule solvated in He nanodroplets. (literal)
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