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University of South Carolina

2004

Reaction kinetics

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Full-Text Articles in Chemistry

Bohmian Dynamics On Subspaces Using Linearized Quantum Force, Vitaly A. Rassolov, Sophya Garashchuk Apr 2004

Bohmian Dynamics On Subspaces Using Linearized Quantum Force, Vitaly A. Rassolov, Sophya Garashchuk

Faculty Publications

In the de Broglie–Bohm formulation of quantum mechanics the time-dependent Schrödinger equation is solved in terms of quantum trajectories evolving under the influence of quantum and classical potentials. For a practical implementation that scales favorably with system size and is accurate for semiclassical systems, we use approximate quantum potentials. Recently, we have shown that optimization of the nonclassical component of the momentum operator in terms of fitting functions leads to the energy-conserving approximate quantum potential. In particular, linear fitting functions give the exact time evolution of a Gaussian wave packet in a locally quadratic potential and can describe the dominant …