Generalized Gaussian wave packet dynamics
- 1 November 1987
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 87 (9) , 5302-5311
- https://doi.org/10.1063/1.453647
Abstract
We propose an extension of the semiclassical Gaussian wave packet dynamics to eliminate the three main restrictions of this method. The first restriction is that the wave packet is forced to remain Gaussian. This is correct only for quadratic, linear, or constant potentials. The second restriction is that the method is, in general, not able to treat most classically forbidden processes. The third restriction is that the norm is conserved only for Gaussian wave packets. For a superposition of Gaussians this is no longer true. We can eliminate these restrictions by an extension of the method into complex phase space, keeping time real.Keywords
This publication has 49 references indexed in Scilit:
- Electronic spectra from molecular dynamics: a simple approachThe Journal of Physical Chemistry, 1984
- Quantum manifestations of classical resonance zonesThe Journal of Chemical Physics, 1984
- A Fourier method solution for the time dependent Schrödinger equation: A study of the reaction H++H2, D++HD, and D++H2The Journal of Chemical Physics, 1983
- Semiclassical quantization and extraction of eigenfunctions using arbitrary trajectoriesThe Journal of Chemical Physics, 1983
- Angular momentum projection operators and molecular bound statesThe Journal of Chemical Physics, 1983
- The MIME effect: absence of normal modes corresponding to vibronic spacingsInorganic Chemistry, 1982
- Semiclassical approximation in the coherent states representationThe Journal of Chemical Physics, 1982
- Exact time-dependent wave packet propagation: Application to the photodissociation of methyl iodideThe Journal of Chemical Physics, 1982
- Frozen Gaussians: A very simple semiclassical approximationThe Journal of Chemical Physics, 1981
- Time-dependent theory of Raman scatteringThe Journal of Chemical Physics, 1979