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
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
Journal title :
Chemical Physics Letters