Modified Quantum Trajectory Dynamics Using a Mixed Wavefunction Representation
© [ Journal of Chemical Physics] [2004], [AIP].
Carashchuk, S.&Rassolov,V.A.(2004). Modified quantum trajectory dynamics using a mixed wave function representation. Journal of Chemical Physics, 121(18), 8711-8715.
Abstract
Dynamics of quantum trajectories provides an efficient framework for description of various quantum effects in large systems, but it is unstable near the wave function density nodes where the quantum potential becomes singular. A mixed coordinate space/polar representation of the wave function is used to circumvent this problem. The resulting modified trajectory dynamics associated with the polar representation is nonsingular and smooth. The interference structure and the nodes of the wave function density are described, in principle, exactly in the coordinate representation. The approximate version of this approach is consistent with the semiclassical linearized quantum force method.