Publications

Author Title Type [ Year(Asc)]
Filters: Keyword is Liouville equation  [Clear All Filters]
2013
Hsieh, C. - Y. ; Kapral, R. . Analysis Of The Forward-Backward Trajectory Solution For The Mixed Quantum-Classical Liouville Equation. Journal of Chemical Physics 2013, 138.PDF icon PDF (741.29 KB)
Hsieh, C. - Y. ; Schofield, J. ; Kapral, R. . Forward-Backward Solution Of Quantum-Classical Liouville Equation In The Adiabatic Mapping Basis. Molecular Physics 2013, 111, 3546-3554.PDF icon mqc-open-qc-syst-jphys-2015.pdf (874.07 KB)
2012
Kelly, A. ; Van Zon, R. ; Schofield, J. ; Kapral, R. . Mapping Quantum-Classical Liouville Equation: Projectors And Trajectories. Journal of Chemical Physics 2012, 136.PDF icon mqc_map-proj-jcp-12.pdf (964.92 KB)
Hsieh, C. - Y. ; Kapral, R. . Nonadiabatic Dynamics In Open Quantum-Classical Systems: Forward-Backward Trajectory Solution. Journal of Chemical Physics 2012, 137.PDF icon mqc-fb-jcp-12.pdf (270.88 KB)
2010
Nassimi, A. ; Bonella, S. ; Kapral, R. . Analysis Of The Quantum-Classical Liouville Equation In The Mapping Basis. Journal of Chemical Physics 2010, 133.PDF icon mqc-ali-map3-jcp-10.pdf (254.57 KB)
Bonella, S. ; Ciccotti, G. ; Kapral, R. . Linearization Approximations And Liouville Quantum-Classical Dynamics. Chemical Physics Letters 2010, 484, 399-404.PDF icon mqc-sara-linear-cpl-10.pdf (388.4 KB)
2008
D. Kernan, M. ; Ciccotti, G. ; Kapral, R. . Trotter-Based Simulation Of Quantum-Classical Dynamics. Journal of Physical Chemistry B 2008, 112, 424-432.PDF icon PDF (144.4 KB)
1999
Kapral, R. . Mixed Quantum-Classical Dynamics. Journal of Chemical Physics 1999, 110, 8919-8929.