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Reply to ‘‘Comment on ‘The conservation of quantum zero-point energies in classical trajectory simulations’ ’’ [J. Chem. Phys. 103, 1989 (1995)]

Drew A. McCormack, Kieran F. Lim

The Journal of Chemical Physics, 1995

17 citations

Abstract

The use of quasiclassical simulations arises from practical considerations: It is not possible to do quantum simulations for most systems. By necessity, only quantum dynamics can reproduce all quantum properties. The use of restricted energy flows by using pseudoholonomic constraints to conserve ‘‘quantum’’ zero-point energy [J. Chem. Phys. 102, 1705 (1995)] is an attempt to reproduce at least one important quantum phenomenon using a (pseudo)classical method. Future applications for the pseudoholonomic-constraint method are discussed.

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