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

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

Stable Long-Time Semiclassical Description of Zero-Point Energy in High-Dimensional Molecular Systems, Sophya Garashchuk, Vitaly A. Rassolov
Faculty Publications

Crystal Growth of Sr₃NaNbO₆ and Sr₃NaTaO₆: New Photoluminescent Oxides, Muktha Bharathy, Vitaly A. Rassolov, Hans-Conrad zur Loye
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

Advances in Methods and Algorithms in a Modern Quantum Chemistry Program Package, Yihan Shao, Laszlo Fusti Molnar, Yousung Jung, Jörg Kussmann, Christian Ochsenfeld, Shawn T. Brown, Andrew T B Gilbert, Lyudmila V. Slipchenko, Sergey V. Levchenko, Darragh P. O’Neill, Robert A. DiStasio Jr, Rohini C. Lochan, Tao Wang, Gregory J O Beran, Nicholas A. Besley, John M. Herbert, Ching Yeh Lin, Troy Van Voorhis, Siu Hung Chien, Alex Sodt, Ryan P. Steele, Vitaly A. Rassolov, Paul E. Maslen, Prakashan P. Korambath, Ross D. Adamson, Brian Austin, Jon Baker, Edward F C Byrd, Holger Dachsel, Robert J. Doerksen, Andreas Dreuw, Barry D. Dunietz, Anthony D. Dutoi, Thomas R. Furlani, Steven R. Gwaltney, Andreas Heyden, So Hirata, Chao-Ping Hsu, Gary Kedziora, Rustam Z. Khalliulin, Phil Klunzinger, Aaron M. Lee, Michael S. Lee, WanZhen Liang, Itay Lotan, Nikhil Nair, Baron Peters, Emil I. Proynov, Piotr A. Pieniazek, Young Min Rhee, Jim Ritchie, Edina Rosta, C David Sherrill, Andrew C. Simmonett, Joseph E Subotnik, H. Lee Woodcock III, Weimin Zhang, Alexis T. Bell, Arup K. Chakraborty, Daniel M. Chipman, Frerich J. Keil, Arieh Warshel, Warren J. Hehre, Henry F. Schaefer III, Jing Kong, Anna I. Krylov, Peter M W Gill, Martin Head-Gordon
Faculty Publications

Semiclassical Nonadiabatic Dynamics Based on Quantum Trajectories for the O(³P,¹D)+H₂ System, Sophya Garashchuk, Vitaly A. Rassolov, George C. Schatz
Faculty Publications

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

Semiclassical Nonadiabatic Dynamics Using a Mixed Wave-Function Representation, Sophya Garashchuk, Vitaly A. Rassolov, George C. Schatz
Faculty Publications

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

Modified Quantum Trajectory Dynamics Using a Mixed Wave Function Representation, Sophya Garashchuk, Vitaly A. Rassolov
Faculty Publications

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

Geminal Model Chemistry II. Perturbative Corrections, Vitaly A. Rassolov, Feng Xu, Sophya Garashchuk
Faculty Publications

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

Energy Conserving Approximations to the Quantum Potential: Dynamics with Linearized Quantum Force, Sophya 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 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

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
Faculty Publications

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