Related papers: Discretising the Herman--Kluk Propagator
A class of Fourier Integral Operators which converge to the unitary group of the Schroedinger equation in semiclassical limit $\eps\to 0$ is constructed. The convergence is in the uniform operator norm and allows for an error bound of order…
When computing quantum-mechanical observables, the ``curse of dimensionality'' limits the naive approach that uses the quantum-mechanical wavefunction. The semiclassical Herman--Kluk propagator mitigates this curse by employing a grid-free…
For a subquadratic symbol $H$ on $\R^d\times\R^d = T^*(\R^d)$, the quantum propagator of the time dependent Schr\"odinger equation $i\hbar\frac{\partial\psi}{\partial t} = \hat H\psi$ is a Semiclassical Fourier-Integral Operator when $\hat…
When the semiclassical Herman-Kluk propagator is used for evaluating quantum-mechanical observables or time-correlation functions, the initial conditions for the guiding trajectories are typically sampled from the Husimi density. Here, we…
A unified viewpoint on the van Vleck and Herman-Kluk propagators in Hilbert space and their recently developed counterparts in Wigner representation is presented. It is shown that the numerical protocol for the Herman-Kluk propagator, which…
An initial coherent state is propagated exactly by a kicked quantum Hamiltonian and its associated classical stroboscopic map. The classical trajectories within the initial state are regular for low kicking strengths, then bifurcate and…
We present a complete derivation of the semiclassical limit of the coherent state propagator in one dimension, starting from path integrals in phase space. We show that the arbitrariness in the path integral representation, which follows…
For two Coulombically interacting electrons in a quantum dot with harmonic confinement and a constant magnetic field, we show that time-dependent semiclassical calculations using the Herman-Kluk initial value representation of the…
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…
Quantized systems whose underlying classical dynamics possess an elaborate mixture of regular and chaotic motion can exhibit rather subtle long-time quantum transport phenomena. In a short wavelength regime where semiclassical theories are…
The Van Vleck formula is a semiclassical approximation to the integral kernel of the propagator associated to a time-dependent Schr\"odinger equation. Under suitable hypotheses, we present a rigorous treatment of this approximation which is…
We review some recent results obtained for the time evolution of wave packets for systems of equations of pseudo-differential type, including Schr{\"o}dinger ones, and discuss their application to the approximation of the associated unitary…
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…
The Heisenberg evolution of a given unitary operator corresponds classically to a fixed canonical transformation that is viewed through a moving coordinate system. The operators that form the bases of the Weyl representation and its Fourier…
Semiclassical techniques constitute a promising route to approximate quantum dynamics based on classical trajectories starting from a quantum-mechanically correct distribution. One of their main drawbacks is the so-called zero-point energy…
Based on the integral representation of the semiclassical propagator of Herman and Kluk (HK), and in the limit of high temperatures, we formulate a hybrid expression for the correlation function of infrared spectroscopy. This is achieved by…
Using phase-space complexification, an Initial Value Representation (IVR) for the semiclassical propagator in position space is obtained as a composition of inverse Segal-Bargmann (S-B) transforms of the semiclassical coherent state…
The direct integration of the harmonic oscillator path integral obscures the fundamental structure of its discrete, imaginary time propagator (density matrix). This work, by first proving an operator identity for contracting two free…
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 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…