Frozen Gaussians: A very simple semiclassical approximation

A new and convenient semiclassical method is proposed. It relies only upon classical trajectories and Gaussian integrals. It seems to work very well for the model molecular vibrational spectra investigated here. It should be applicable to a wide variety of processes and can be variationally improved if necessary.

[1]  E. Heller,et al.  Time dependent formulation of polyatomic photofragmentation: Application to H3+ , 1978 .

[2]  Michael J. Davis,et al.  Molecular overtone bandwidths from classical trajectories , 1980 .

[3]  E. Heller,et al.  Classical trajectory approach to photodissociation: The Wigner method , 1981 .

[4]  E. Heller.  Quantum intramolecular dynamics: Criteria for stochastic and nonstochastic flow , 1980 .

[5]  E. Heller.  Quantum corrections to classical photodissociation models , 1978 .

[6]  W. Louisell.  Quantum Statistical Properties of Radiation , 1973 .

[7]  E. Heller.  Classical S‐matrix limit of wave packet dynamics , 1976 .

[8]  E. Heller.  Time‐dependent approach to semiclassical dynamics , 1975 .

[9]  R. Marcus,et al.  Collisional broadening and spectral line shape of an entire rotational band , 1978 .

[10]  K. Sorbie,et al.  Semiclassical eigenvalues for non-separable bound systems from classical trajectories: the higher energy levels , 1977 .

[11]  E. Heller.  Phase space interpretation of semiclassical theory , 1977 .

[12]  B. C. Garrett,et al.  Semiclassical eigenvalues for nonseparable systems: Nonperturbative solution of the Hamilton–Jacobi equation in action‐angle variables , 1976 .

[13]  M. M. Miller,et al.  Fundamentals of Quantum Optics , 1968 .

[14]  K. Kay.  Numerical study of intramolecular vibrational energy transfer: Quantal, classical, and statistical behavior , 1980 .

[15]  P. H. Berens,et al.  Molecular dynamics and spectra. I. Diatomic rotation and vibration , 1981 .

[16]  E. Heller,et al.  Time‐dependent theory of Raman scattering , 1979 .

[17]  D. Truhlar.  Potential Energy Surfaces and Dynamics Calculations , 1981 .

[18]  Michael J Davis,et al.  Semiclassical Gaussian basis set method for molecular vibrational wave functions , 1979 .

[19]  Donald W. Noid,et al.  Properties of vibrational energy levels in the quasi periodic and stochastic regimes , 1980 .

[20]  Michael J. Davis,et al.  Molecular spectra, Fermi resonances, and classical motion , 1980 .

[21]  Don L. Bunker,et al.  Classical Trajectory Methods , 1971 .

[22]  Michael J. Davis,et al.  Quantum dynamical tunneling in bound states , 1981 .

[23]  M. Child,et al.  Excited stretching vibrations of water: the quantum mechanical picture , 1980 .

[24]  Eric J. Heller,et al.  Quantum dynamics in classically integrable and non-integrable regions , 1980 .