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A quenching method in quantum-classical studies of dynamics with a bifurcating wavefunction

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.
Publication status:
Published

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Journal:
CHEMICAL PHYSICS LETTERS
Volume:
262
Issue:
3-4
Pages:
284-291
Publication date:
1996-11-15
DOI:
ISSN:
0009-2614
URN:
uuid:f6cb7074-7fcc-424c-abe0-5bfeb6fe106d
Source identifiers:
52964
Local pid:
pubs:52964
Language:
English

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