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Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive

Zhigang Sun1, Soo-Y Lee, Hua Guo

  • 1State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, People's Republic of China.

The Journal of Chemical Physics
|May 12, 2009
PubMed

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