Semiclassical implementation of the quantum trajectory formalism J. Chem. Phys. 120, 1181 2004 is further developed to give a stable long-time description of zero-point energy in anharmonic systems of high dimensionality. The method is based on a numerically cheap linearized quantum force approach; stabilizing terms compensating for the linearization errors are added into the time-evolution equations for the classical and nonclassical components of the momentum operator. The wave function normalization and energy are rigorously conserved. Numerical tests are performed for model systems of up to 40 degrees of freedom.
Preprint version Journal of Chemical Physics, Volume 129, Issue 2, 2008.
© 2008 by American Institute of Physics