Analyses of breathing vibration of nearly spherical Ar clusters based on a dense sphere model
1991; Elsevier BV; Volume: 182; Issue: 1 Linguagem: Inglês
10.1016/0009-2614(91)80103-5
ISSN1873-4448
AutoresYasushi Ozaki, Masahiko Ichihashi, Tamotsu Kondow,
Tópico(s)Hydrogen Storage and Materials
ResumoThe breathing vibration of ArN cluster, N=13,20,25,30 and 55, was investigated by use of a dense sphere model, in which the cluster were approximated by a dense sphere; the breathing vibration corresponds to the symmetric stretch vibration of the dense sphere. The average distance (r), which is an index of the breathing motion, and its variance (s2) of all the Ar atoms with respect to the center of mass were calculated as a function of time by use of the molecular dynamics method. The frequency spectrum of r (r spectrum) was derived from the time evolution of r. The frequency of the breathing vibration, fMD, obtained from the r spectrum was compared with that of the symmetric stretch vibration, fDS, calculated analytically based on the dense sphere model. As the cluster size increase, fMD, had a tendency to agree with fDS.
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