Journal article

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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APA Style

Wang, L., & Clary, D. (1996). A quenching method in quantum-classical studies of dynamics with a bifurcating wavefunction. CHEMICAL PHYSICS LETTERS, 262(3-4), 284–291.

MLA Style

Wang, L, and D Clary. “A Quenching Method in Quantum-Classical Studies of Dynamics with a Bifurcating Wavefunction.” CHEMICAL PHYSICS LETTERS, vol. 262, nos. 3-4, 1996, pp. 284–91.

Chicago Style

Wang, L, and D Clary. 1996. “A Quenching Method in Quantum-Classical Studies of Dynamics with a Bifurcating Wavefunction.” CHEMICAL PHYSICS LETTERS 262 (3-4): 284–91.
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Publisher copy:: 10.1016/0009-2614(96)01105-0

Authors

+ Wang, L More by this author

Role:: Author

+ Clary, D More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Sub department:: Physical & Theoretical Chem
Role:: Author

Journal:: CHEMICAL PHYSICS LETTERS More from this journal
Volume:: 262
Issue:: 3-4
Pages:: 284-291
Publication date:: 1996-11-15
DOI:: 10.1016/0009-2614(96)01105-0
ISSN:: 0009-2614

Language:: English
Pubs id:: pubs:52964
UUID:: uuid:f6cb7074-7fcc-424c-abe0-5bfeb6fe106d
Local pid:: pubs:52964
Source identifiers:: 52964
Deposit date:: 2013-11-17
ARK identifier:: ark:/29072/ora_f6cb70747fcc424cabe05bfeb6fe106d

Terms of use

Copyright date:: 1996

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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