SPHEROIDAL VIBRATIONS OF Ar-CLUSTER ISOMERS ANALYZED BY MOLECULAR DYNAMICS CALCULATION

1996 ◽  
Vol 03 (01) ◽  
pp. 479-482
Author(s):  
YASUSHI OZAKI ◽  
YASUJI SHINODA ◽  
MASAHIKO ICHIHASHI ◽  
TAMOTSU KONDOW

The vibrational motion of Ar clusters ( Ar n, n=20, 23, 25, 27, and 30) having isomers in a variety of shapes was simulated by the molecular dynamics method. The intensities of the breathing and quadruple spheroidal vibrations following the breathing-mode excitation of the isomers were calculated. It was found that only the breathing vibration was excited in nearly spherical isomers, while significant excitation of the quadruple spheroidal vibration as well as the breathing vibration was observed in nonspherical isomers. The degrees of sphericality of the isomers were assessed by use of their principal moments of inertia. The excitation of the quadruple spheroidal vibration was found to be closely related to the degrees of sphericality of the isomers.

2000 ◽  
Vol 20 (1Supplement) ◽  
pp. 43-46
Author(s):  
Ken-ichi SAITOH ◽  
Takashi DOI ◽  
Masao KOMAYA ◽  
Takehiko INABA

2015 ◽  
Vol 119 (46) ◽  
pp. 14594-14603 ◽  
Author(s):  
Ole Juul Andersen ◽  
Julie Grouleff ◽  
Perri Needham ◽  
Ross C. Walker ◽  
Frank Jensen

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