Incorporation of Quantum Effects for Selected Degrees of Freedom into the Trajectory-Based Dynamics Using Spatial Domains, Sophya V. Garashchuk, Mikhail V. Volkov
Faculty Publications

The Energy-Conserving Dynamics of Quantum-Classical Systems Based on Quantum Trajectories, Sophya V. Garashchuk, Mikhail V. Volkov
Faculty Publications

Calculation of the Zero-Point Energy from Imaginary-time Quantum Trajectory Dynamics in Cartesian Coordinates, Sophya V. Garashchuk
Faculty Publications

Efficient Quantum Trajectory Representation of Wavefunctions Evolving in Imaginary Time, Sophya V. Garashchuk, James Mazzuca, Tijo Vazhappilly
Faculty Publications

Multidimensional Quantum Trajectory Dynamics in Imaginary Time with Approximate Quantum Potential, Sophya V. Garashchuk, Tijo Vazhappilly
Faculty Publications

Semiclassical Bohmian Dynamics, Sophya V. Garashchuk, Vitaly A. Rassolov, Oleg Prezhdo
Faculty Publications

Calculation of Reaction Rate Constants Using Approximate Evolution of Quantum Trajectories in Imaginary and Real Time, Sophya V. Garashchuk
Faculty Publications

Crossed-Beams and Theoretical Studies of Hyperthermal Reactions of O(³P) with HCl†, Jianming Zhang, Amy L. Brunsvold, Hari P. Upadhyaya, Timothy K. Minton, Jon P. Camden, Sophya V. Garashchuk, George C. Schatz
Faculty Publications

Description of Bound Reactive Dynamics within the Approximate Quantum Trajectory Framework, Sophya V. Garashchuk
Faculty Publications

Computational Complexity in Quantum Chemistry, Vitaly A. Rassolov, Sophya V. Garashchuk
Faculty Publications

Stabilization of Quantum Energy Flows within the Approximate Quantum Trajectory Approach, Sophya V. Garashchuk, Vitaly A. Rassolov
Faculty Publications

Semiclassical Nonadiabatic Dynamics of NaFH with Quantum Trajectories, Sophya V. Garashchuk, Vitaly A. Rassolov
Faculty Publications

Quantum Trajectory Dynamics in Arbitrary Coordinates, Vitaly A. Rassolov, Sophya V. Garashchuk, George C. Schatz
Faculty Publications

Semiclassical Nonadiabatic Dynamics with Quantum Trajectories, Vitaly A. Rassolov, Sophya V. Garashchuk
Faculty Publications

Applicability Criterion for Semiclassical Bohmian Dynamics, Sophya V. Garashchuk, Vitaly A. Rassolov
Faculty Publications

Quantum Dynamics with Bohmian Trajectories: Energy Conserving Approximation to the Quantum Potential, Sophya V. Garashchuk, Vitaly A. Rassolov
Faculty Publications

Semiclassical Dynamics Based on Quantum Trajectories, Sophya V. Garashchuk, Vitaly A. Rassolov
Faculty Publications

Description of Metals Based on Localized Electrons, Vitaly A. Rassolov, Sophya V. Garashchuk, Mark A. Ratner
Faculty Publications

The Diagonal Born-Oppenheimer Correction to Molecular Dynamical Properties, Sophya V. Garashchuk, John C. Light, Vitaly A. Rassolov
Faculty Publications

Semiclassical Calculation of Chemical Reaction Dynamics via Wavepacket Correlation Functions, D. J. Tannor, Sophya V. Garashchuk
Faculty Publications

Semiclassical Calculation of Cumulative Reaction Probabilities, David J. Tannor, Sophya V. Garashchuk
Faculty Publications

Semiclassical Calculation of Cumulative Reaction Probabilities, Sophya V. Garashchuk, D. J. Tannor
Faculty Publications

Semiclassical Approach to the Hydrogen-exchange Reaction- Reactive and Transition-state Dynamics, Sophya V. Garashchuk, Grossmann Frank, David Tannor
Faculty Publications

Calculation of Autocorrelation Functions Using the Wigner Representation of Quantum Mechanics, Sophya V. Garashchuk, David J. Tannor
Faculty Publications