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Quantum fluid dynamics (QFD) is an alternative to conventional methods for the
solution of the Schroedinger equation for nuclear motion on one or more electronic
potential energy surfaces. Integration of the QFD equations via time propagation of
quantum trajectories corresponds to a calculation of the full nuclear wave function, the
only approximation being discretization. The bottleneck of this approach is clearly the
numerically difficult computation of the quantum force term. The performance of
different implementations of QFD is analyzed. QFD is also interesting as starting point
for the development of mixed quantum-classical methods. One particular version is
applied to the dynamics of coupled anharmonic oscillators and compared to the mean
field ansatz. |
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