Photodissociation of Cl2 in helium clusters: an application of hybrid method of quantum wavepacket dynamics and path integral centroid molecular dynamics
作者： Toshiyuki Takayanagi , Motoyuki Shiga
DOI: 10.1016/S0009-2614(03)00368-3
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摘要: Abstract The photodissociation dynamics of Cl 2 embedded in helium clusters is studied by numerical simulation with an emphasis on the effect quantum character motions. based hybrid model which Cl–Cl internuclear treated a wavepacket technique, while motions are described path integral centroid molecular approach. It found that cage largely decreases when motion mechanically. mechanism affected not only zero-point vibration solvation structure, but also helium.
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