On the Adiabatic Dynamics of Paramagnetic Ion Pairs

被引:1
作者
Fois, E. S. [1 ]
Gamba, A. [1 ]
机构
[1] Univ Milan, Dipartimento Chim Fis & Elettrochim, I-20133 Milan, Italy
关键词
D O I
10.1007/BF03260115
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
A model describing the adiabatic dynamics of a paramagnetic ion pair in a simple fluid is presented. A mixed classical-quantum mechanical approach is adopted. The quantum degrees of freedom, i.e. the unpaired electron in our case, are treated via the Time dependent Schrodinger Equation, while the other particle are dealt with by classical Molecular Dynamics. The time evolution of the excess electron density as a function of environmental changes is discussed.
引用
收藏
页码:841 / 848
页数:8
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