R.K. Nesbet
International Journal of Quantum Chemistry
It is shown that classical action integrals J can be expressed as local functions in phase space, computed from a classical trajectory if the frequency constants ω are known. The mean square deviation of components of J from constant values given by this formalism defines a variational objective function whose absolute minimum determines ω and J. Illustrative calculations are presented for a two-dimensional double-well model problem, equivalent to imposing specular reflection at a barrier cutting across a single-well potential. Solutions obtained over a range of values of initial trajectory parameters determine regular solutions of the classical dynamical problem. The proposed formalism essentially constructs a solution of the Hamilton-Jacobi equation from the phase integral computed along a trajectory. © 1984 American Institute of Physics.
R.K. Nesbet
International Journal of Quantum Chemistry
J. Barsuhn, R.K. Nesbet
The Journal of Chemical Physics
R.K. Nesbet
The Journal of Chemical Physics
R.K. Nesbet
Physical Review A