Quantal cumulant dynamics II. An efficient time-reversible integrator
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概要
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The applicability of time-reversible integrators to the recently developed quantal cumulantdynamics (QCD) is examined, and their accuracy and efficiency are demonstratedby comparison with the Runge-Kutta method. We proposed three schemes,which differ in their partitions and orders of an exponential function of a Liouvillian.Three-part partition conserves the total energy with sufficient accuracy, whereas thetwo-part one does not. It is found that the equations of motion of the QCD are sensitiveto the order. The sensitivity is due to the accordance of fractional time invariables, which contribute to the total energy, after the propagation.
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Elsevier | 論文
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