Related papers: Herman-Kluk propagator is free from zero-point ene…
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…
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…
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…
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…
The Herman--Kluk propagator is a popular semi-classical approximation of the unitary evolution operator in quantum molecular dynamics. In this paper we formulate the Herman--Kluk propagator as a phase space integral and discretise it by…
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…
We propose to use semiclassical methods to treat laser control problems of chemical reaction dynamics. Our basic strategy is as follows: Laser-driven chemical reactions are considered to consist of two processes. One is the wavepacket…
Mixed Quantum Classical (MQC)-IVR is a recently introduced semiclassical framework that allows for selective quantization of the modes of a complex system. In the quantum limit, MQC reproduces the semiclassical Double Herman-Kluk IVR…
The quantum thermal bath (QTB) has been presented as analternative to path-integral-based methods to introduce nuclear quantumeffects in molecular dynamics simulations. The method has proved to beefficient, yielding accurate results for…
We analyze strong field atomic dynamics semiclassically, based on a full time-dependent description with the Hermann-Kluk propagator. From the properties of the exact classical trajectories, in particular the accumulation of action in time,…
Thermal escape out of a metastable well is considered in the weak friction regime, where the bottleneck for decay is energy diffusion, and at lower temperatures, where quantum tunneling becomes relevant. Within a systematic semiclassical…
We assess the suitability of quantum and semiclassical initial value representations, exemplified by the coupled coherent states (CCS) method and the Herman Kluk (HK) propagator, respectively, for modeling the dynamics of an electronic wave…
Trajectories are a central concept in our understanding of classical phenomena and also in rationalizing quantum mechanical effects. In this work we provide a way to determine semiclassical paths, approximations to quantum averages in phase…
We study the out-of-equilibrium dynamics of ultracold bosons in a double- and triple-well potential within the Bose-Hubbard model by means of the semiclassical Herman-Kluk propagator and compare the results to the frequently applied…
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 study quantum quenches in the $S=1$ Heisenberg spin chain and show that the dynamics can be described by the recently developed semi-semiclassical method based on particles propagating along classical trajectories but scattering quantum…
We describe an iterative approach to computing long-time semiclassical dynamics in the presence of chaos, which eliminates the need for summing over an exponentially large number of classical paths, and has good convergence properties even…
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…
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…
A semiclassical theory of dissipative Henon-Heiles system is proposed. Based on $\hbar$-scaling of an equation for evolution of Wigner quasiprobability distribution function in presence of dissipation and thermal diffusion, we derive a…