Related papers: Validity of the time-dependent variational approxi…
We assessed three schemes for propagating a variable-width (thawed) Gaussian wave packet moving under the influence of Morse or double-well potentials with parameters that are chemically representative. The most rigorous scheme is based on…
Simulating vibrationally resolved electronic spectra of anharmonic systems, especially those involving double-well potential energy surfaces, often requires expensive quantum dynamics methods. Here, we explore the applicability and…
We have studied dynamical properties and quantum tunneling in asymmetric double-well (DW) systems, by solving Schr\"{o}dinger equation with the use of two kinds of spectral methods for initially squeezed Gaussian wavepackets. Time…
We apply the approximate dynamics derived from the Gaussian time-dependent variational principle to the Hamiltonian $ \hat H= {1/2}(\hat p_x ^2+ \hat p_y ^2)+ {1/2}\hat x^2\hat y^2$, which is strongly chaotic in the classical limit. We are…
Recently, there has been interest in determining the viscoelastic properties of polymeric liquids and other complex fluids by means of Diffusing Wave Spectroscopy (DWS). In this technique, light-scattering spectroscopy is applied to highly…
A method for performing variable-width (thawed) Gaussian wavepacket (GWP) variational dynamics on machine-learned potentials is presented. Instead of fitting the potential energy surface (PES), the anharmonic correction to the global…
Effects of time-dependent applied fields on quantum coupled double-well (DW) systems with Razavy's hyperbolic potential have been studied. By solving the Schr\"{o}dinger equation for the DW system, we have obtained time-dependent occupation…
We present a method to calculate exact dynamics of a wave-packet in a quantum two-state problem with Dirac delta coupling. The advantage of our method is that the calculations are done in the time domain. Hence inverting the solutions from…
In recent years, the time-dependent variational principle (TDVP) method based on the matrix product state (MPS) wave function formulation has shown its great power in performing large-scale quantum dynamics simulations for realistic…
This work presents a numerical investigation of different approximation techniques for the temporal weights used in the Dual Weighted Residual (DWR) method applied to a time-dependent convection-diffusion equation which is assumed to be…
The dynamics of quantum systems can be approximated by the time propagation of Gaussian wave packets. Applying a time dependent variational principle, the time evolution of the parameters of the coupled Gaussian wave packets can be…
Gaussian wave packets (GWPs) are well suited as basis functions to describe the time evolution of arbitrary wave functions in systems with nonsingular smooth potentials. They are less so in atomic systems on account of the singular behavior…
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…
The dual-tree complex wavelet transform (DTCWT) is an enhancement of the conventional discrete wavelet transform (DWT) due to a higher degree of shift-invariance and a greater directional selectivity, finding its applications in signal and…
Electronic and/or vibronic coherence has been found by recent ultrafast spectroscopy experiments in many chemical, biological and material systems. This indicates that there are strong and complicated interactions between electronic states…
A two-dimensional generalized hydrodynamics (GH) model is developed to study the full spectrum of both longitudinal and transverse dust acoustic waves (DAW) in strongly coupled complex (dusty) plasmas, with memory-function-formalism being…
Methods of quantum nuclear wave-function dynamics have become very efficient in simulating large isolated systems using the time-dependent variational principle (TDVP). However, a straightforward extension of the TDVP to the density matrix…
Time-slicing has emerged as a strategy for incorporating semiclassical propagation into real-time path integral formulation and recovering full quantum dynamics. A central step is the decomposition of a time-evolved wave function into a…
In this article we present an exact and unified description of wave-packet dynamics in various 2D systems in presence of a transverse magnetic field. We consider an initial minimum-uncertainty Gaussian wave-packet, and find that its long…
Using a recently developed extension of the time-dependent variational principle for matrix product states, we evaluate the dynamics of 2D power-law interacting XXZ models, implementable in a variety of state-of-the-art experimental…