Title of article
A quenching method in quantum-classical studies of dynamics with a bifurcating wavefunction
Author/Authors
Wang، نويسنده , , Lichang and Clary، نويسنده , , David C.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1996
Pages
8
From page
284
To page
291
Abstract
A quenching method is developed to study the dynamics of a system which exhibits more than one maximum in the probability distribution of the wavefunction in configuration space during a mixed quantum-classical molecular dynamics simulation. The method is straightforward and easy to implement, and gives a physically correct description of the dynamics. As an illustration of the method, the dynamics of HCl colliding with an ice surface is simulated.
Journal title
Chemical Physics Letters
Serial Year
1996
Journal title
Chemical Physics Letters
Record number
1778838
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