Publications

Author Title Type [ Year(Asc)]
Filters: Keyword is Correlation methods  [Clear All Filters]
2009
Nassimi, A. ; Kapral, R. . Mapping Approach For Quantum-Classical Time Correlation Functions 1. Canadian Journal of Chemistry 2009, 87, 880-890.PDF icon mqc_mapping-correl-cjc-09.pdf (202.83 KB)
2008
Hanna, G. ; Kapral, R. . Quantum-Classical Liouville Dynamics Of Proton And Deuteron Transfer Rates In A Solvated Hydrogen-Bonded Complex. Journal of Chemical Physics 2008, 128.PDF icon PDF (390.64 KB)
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)
2007
Kim, H. ; Kapral, R. . Quantum Equilibrium Structure For Strong Nonadiabatic Coupling: Reaction Rate Enhancement. Chemical Physics Letters 2007, 440, 215-220.PDF icon mqc-kim-cluster-cpc-08.pdf (353.92 KB)
2006
Kim, H. ; Kapral, R. . Solvation And Proton Transfer In Polar Molecule Nanoclusters. Journal of Chemical Physics 2006, 125.PDF icon PDF (179.14 KB)
2005
Kim, H. ; Kapral, R. . Nonadiabatic Quantum-Classical Reaction Rates With Quantum Equilibrium Structure. Journal of Chemical Physics 2005, 123.PDF icon PDF (160.83 KB)
Hanna, G. ; Kapral, R. . Quantum-Classical Liouville Dynamics Of Nonadiabatic Proton Transfer. Journal of Chemical Physics 2005, 122.PDF icon PDF (173.48 KB)
Kim, H. ; Kapral, R. . Transport Properties Of Quantum-Classical Systems. Journal of Chemical Physics 2005, 122.PDF icon PDF (197.31 KB)
2003
Davidsen, J. ; Kapral, R. . Defect-Mediated Turbulence In Systems With Local Deterministic Chaos. Physical Review Letters 2003, 91, 583031-583034.PDF icon PDF (288.11 KB)
2002
Hemming, C. ; Kapral, R. . Front Explosion In A Resonantly Forced Complex Ginzburg-Landau System. Physica D: Nonlinear Phenomena 2002, 168, 10-22.PDF icon PDF (249.53 KB)
Davidsen, J. ; Kapral, R. . Phase Synchronization And Topological Defects In Inhomogeneous Media. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics 2002, 66, 4.PDF icon PDF (161.91 KB)
2001
Nielsen, S. ; Kapral, R. ; Ciccotti, G. . Statistical Mechanics Of Quantum-Classical Systems. Journal of Chemical Physics 2001, 115, 5805-5815.PDF icon PDF (1.12 MB)