Related papers: Complexified phase spaces, initial value represent…
A semiclassical formula for the coherent-state propagator requires the determination of specific classical paths inhabiting a complex phase-space through a Hamiltonian flux. Such trajectories are constrained to special boundary conditions…
In this work we introduce a distorted wave method, based on the Initial Value Representation (IVR) approach of the quantum evolution operator, in order to improve the semiclassical description of rainbow effects in diffraction patterns…
Recent experimental and theoretical studies indicate that intramolecular energy redistribution (IVR) is nonstatistical on intermediate timescales even in fairly large molecules. Therefore, it is interesting to revisit the the old topic of…
We present a refined cellularization (Filinov filtering) scheme for the semiclassical Herman--Kluk propagator, which employs the inverse Weierstrass transform and optimal scaling of the cell's size with the number of cells, and was…
The semiclassical formula for the coherent-state propagator is written in terms of complex classical trajectories of an equivalent classical system. Depending on the parameters involved, more than one trajectory may contribute to the…
A method for carrying out semiclassical initial value representation calculations using first-principles molecular dynamics (FP-SC-IVR) is presented. This method can extract the full vibrational power spectrum of carbon dioxide from a…
We construct a representation of the coherent state path integral using the Weyl symbol of the Hamiltonian operator. This representation is very different from the usual path integral forms suggested by Klauder and Skagerstan in…
Numerous experimental and theoretical studies have established that intramolecular vibrational energy redistribution (IVR) in isolated molecules has a heirarchical tier structure. The tier structure implies strong correlations between the…
A general semiclassical method in phase space based on the final value representation of the Wigner function is considered that bypasses caustics and the need to root-search for classical trajectories. We demonstrate its potential by…
We extend our recently developed semiclassical strong-field Herman-Kluk propagator (SFHK) method to calculate high-order harmonic generation (HHG) for atoms in intense lasers. We show that our method, based on a combination of the…
We study the intramolecular vibrational energy redistribution (IVR) dynamics of an effective spectroscopic Hamiltonian describing the four coupled high frequency modes of CDBrClF. The IVR dynamics ensuing from nearly isoenergetic…
The problem of an origin of the Solary-Kochetov extra-phase contribution to the naive semiclassical form of a generalized phase-space propagator is addressed with the special reference to the su(2) spin case which is the most important in…
We numerically compare the semiclassical ``frozen Gaussian'' Herman-Kluk propagator [Chem. Phys. 91, 27 (1984)] and the ``thawed Gaussian'' propagator put forward recently by Baranger et al. [J. Phys. A 34, 7227 (2001)] by studying the…
We test the ability of semiclassical theory to describe quantitatively the revival of quantum wavepackets --a long time phenomena-- in the one dimensional quartic oscillator (a Kerr type Hamiltonian). Two semiclassical theories are…
The phase space Koopman-van Hove (KvH) equation can be derived from the asymptotic semiclassical analysis of partial differential equations. Semiclassical theory yields the Hamilton-Jacobi equation for the complex phase factor and the…
A detailed derivation of the semiclassical propagator in the generalized coherent-state representation is performed by applying the saddle-point method to a path integral over the classical phase space. With the purpose of providing greater…
The vector electric-field Helmholtz equation, containing cross-polarization terms, is factored to produce both pseudo-differential and exponential operator forms of a three-dimensional, one-way, vector, wave equation for propagation through…
We study smooth, caustic-free, chaotic semiclassical dynamics on two-dimensional phase space and find that the dynamics can be approached by an iterative procedure which constructs an approximation to the exact long-time semiclassical…
The Caldeira-Leggett model provides a compact characterization of a thermal environment in terms of a spectral density function. This simplicity has led to a variety of numerically exact quantum methods for reduced density matrix…
We construct the action-angle variables of a classical integrable model defined on complex projective phase space and calculate the quantum mechanical propagator in the coherent state path integral representation using the stationary phase…