TY - JOUR
T1 - Nonrigidity, delocalization, spatial confinement and electronic-vibrational spectroscopy of anthracene-helium clusters
AU - Heidenreich, Andreas
AU - Even, Uzi
AU - Jortner, Joshua
PY - 2001/12/8
Y1 - 2001/12/8
N2 - Quantum mechanical calculations for the energetics and nuclear dynamics of anthracene·Hen (n=1,2) clusters in the ground electronic state (SO) and in the first spin-allowed electronically excited state (S1) were carried out. The anomalous shifts and the vibrational level structure in the electronic-vibrational excitations of anthracene·Hen (n=1-4) clusters were examined. As a result, the implication of spatial delocalization, of horizontal large scale nuclear motion and of He-He interactions in these floppy quantum clusters was elucidated.
AB - Quantum mechanical calculations for the energetics and nuclear dynamics of anthracene·Hen (n=1,2) clusters in the ground electronic state (SO) and in the first spin-allowed electronically excited state (S1) were carried out. The anomalous shifts and the vibrational level structure in the electronic-vibrational excitations of anthracene·Hen (n=1-4) clusters were examined. As a result, the implication of spatial delocalization, of horizontal large scale nuclear motion and of He-He interactions in these floppy quantum clusters was elucidated.
UR - http://www.scopus.com/inward/record.url?scp=0035830251&partnerID=8YFLogxK
U2 - 10.1063/1.1401816
DO - 10.1063/1.1401816
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AN - SCOPUS:0035830251
SN - 0021-9606
VL - 115
SP - 10175
EP - 10185
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 22
ER -