The Schrödinger Equation with Friction from the Quantum Trajectory Perspective, Sophya V. Garashchuk, Vaibhav Dixit, Bing Gu, James Mazzuca
Faculty Publications

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

Description of Proton Transfer in Soybean Lipoxygenase-1 Employing Approximate Quantum Trajectory Dynamics, James Mazzuca, Sophya V. Garashchuk, Jacek Jakowski
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
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Multidimensional Quantum Trajectory Dynamics in Imaginary Time with Approximate Quantum Potential, Sophya V. Garashchuk, Tijo Vazhappilly
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Semiclassical Bohmian Dynamics, Sophya V. Garashchuk, Vitaly A. Rassolov, Oleg Prezhdo
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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
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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
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Applicability Criterion for Semiclassical Bohmian Dynamics, Sophya V. Garashchuk, Vitaly A. Rassolov
Faculty Publications

Geminal Model Chemistry II. Perturbative Corrections, V. A. Rassolov, F. Xu, Sophya V. Garashchuk
Faculty Publications

Bohmian Dynamics on Subspaces Using Linearized Quantum Force, V. A. Rassolov, Sophya V. Garashchuk
Faculty Publications

Quantum Dynamics with Bohmian Trajectories: Energy Conserving Approximation to the Quantum Potential, 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 with Quantum Trajectories: Formulation and Comparison with the Semiclassical Initial Value Representation Propagator, Sophya V. Garashchuk, V. A. Rassolov
Faculty Publications

Semiclassical Dynamics Based on Quantum Trajectories, Sophya V. Garashchuk, Vitaly A. Rassolov
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Description of Metals Based on Localized Electrons, Vitaly A. Rassolov, Sophya V. Garashchuk, Mark A. Ratner
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, M. A. Ratner
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Quasirandom Distributed Gaussian Bases for Bound Problems, Sophya V. Garashchuk, J. C. Light
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Semiclassical Application of the Mo/ller Operators in Reactive Scattering, Sophya V. Garashchuk, J. C. Light
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The Diagonal Born–Oppenheimer Correction to Molecular Dynamical Properties, Sophya V. Garashchuk, J. C. Light, Vitaly A. Rassolov
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

Simplified Calculation of the Stability Matrix for Semiclassical Propagation, Sophya V. Garashchuk, J. C. Light
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

Cumulative Reaction Probability in Terms of Reactant-Product Wave Packet Correlation Functions, Sophya V. Garashchuk, D. J. Tannor
Faculty Publications

Correlation Function Formulation for the State Selected Total Reaction Probability, 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

Semiclassical Approach to the Hydrogen-Exchange Reaction Reactive and Transition-State Dynamics, Sophya V. Garashchuk, F. Grossmann, D. Tannor
Faculty Publications

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

Wave Packet Correlation Function Approach to H2(ν)+H→H+H2(ν′): Semiclassical Implementation, Sophya V. Garashchuk, D. Tannor
Faculty Publications

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