Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.1869496
Title: Continuous configuration time-dependent self-consistent field method for polyatomic quantum dynamical problems
Authors: Zhang, D.H.
Bao, W. 
Yang, M. 
Lee, S.-Y. 
Issue Date: 2005
Citation: Zhang, D.H., Bao, W., Yang, M., Lee, S.-Y. (2005). Continuous configuration time-dependent self-consistent field method for polyatomic quantum dynamical problems. Journal of Chemical Physics 122 (9) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.1869496
Abstract: A new continuous configuration time-dependent self-consistent field method has been developed to study polyatomic dynamical problems by using the discrete variable representation for the reaction system, and applied to a reaction system coupled to a bath. The method is very efficient because the equations involved are as simple as those in the traditional single configuration approach, and can account for the correlations between the reaction system and bath modes rather well.
Source Title: Journal of Chemical Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/75810
ISSN: 00219606
DOI: 10.1063/1.1869496
Appears in Collections:Staff Publications

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