Related papers: On Hagedorn wavepackets associated with different …
The Hermite functions are an orthonormalbasis of the space of square integrable functions with favourable approximation properties. Allowing for a flexible localization in position and momentum, the Hagedorn wavepackets generalize the…
We investigate the relationship between the semiclassical wave packets of Hagedorn and the Hermite functions by establishing a relationship between their ladder operators. This Hagedorn--Hermite correspondence provides a unified view as…
In this article, we develop and analyse a new spectral method to solve the semi-classical Schr\"odinger equation based on the Gaussian wave-packet transform (GWPT) and Hagedorn's semi-classical wave-packets (HWP). The GWPT equivalently…
In this study, we provide a novel wave packet propagation method that generalizes the Hagedorn approach by introducing alternative primitive basis sets that are better suited to describe different physical processes. More precisely, in our…
Simulation and analysis of multidimensional dynamics of a quantum non-Hmeritian system is a challenging problem. Gaussian wavepacket dynamics has proven to be an intuitive semiclassical approach to approximately solving the dynamics of…
The autocorrelation function, A(t), measures the overlap (in Hilbert space) of a time-dependent quantum mechanical wave function, psi(x,t), with its initial value, psi(x,0). It finds extensive use in the theoretical analysis and…
In single vibronic level (SVL) fluorescence experiments, the electronically excited initial state is also excited in one or several vibrational modes. Whereas computing all contributing Franck-Condon factors individually becomes impractical…
Many approximate solutions of the time-dependent Schr\"odinger equation can be formulated as exact solutions of a nonlinear Schr\"odinger equation with an effective Hamiltonian operator depending on the state of the system. We show that…
Generalised Hagedorn wave packets appear as exact solutions of Schr\"odinger equations with quadratic, possibly complex, potential, and are given by a polynomial times a Gaussian. We show that the Wigner transform of generalised Hagedorn…
Single-Hessian Gaussian wavepacket dynamics (GWD) significantly reduces the computational burden of Heller's local harmonic GWD, while maintaining comparable accuracy in approximating vibronic spectra. Here, we provide a new, symplectic…
The semiclassically scaled time-dependent multi-particle Schr\"odinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational challenges of high oscillations and high dimensions. This…
We explore the computation of high-harmonic generation spectra by means of Gaussian basis sets in approaches propagating the time-dependent Schr{\"o}dinger equation. We investigate the efficiency of Gaussian functions specifically designed…
We consider time dependent harmonic oscillators and construct a parametrix to the corresponding Schr\"odinger equation using Gaussian wavepackets. This parametrix of Gaussian wavepackets is precise and tractable. Using this parametrix we…
It is well known that the Gaussian wave packet dynamics can be written in terms of Hamilton equations in the extended phase space that is twice as large as in the corresponding classical system. We construct several generalizations of this…
We reexamine the general solution of a Schr\"{o}dinger equation in the presence of a time-dependent linear potential in configuration space based on the Lewis-Riesenfeld framework. For comparison, we also solve the problem in momentum space…
We find a relationship between the dynamics of the Gaussian wave packet and the dynamics of the corresponding Gaussian Wigner function from the Hamiltonian/symplectic point of view. The main result states that the momentum map corresponding…
Hagedorn wavepackets have been used to compute single vibronic level (SVL) spectra efficiently in model harmonic potentials. To make the Hagedorn approach practical for realistic polyatomic molecules with anharmonicity, here we combine…
We transform the time-dependent Schroedinger equation for the most general variable quadratic Hamiltonians into a standard autonomous form. As a result, the time-evolution of exact wave functions of generalized harmonic oscillators is…
We investigate the time evolution of Hagedorn wavepackets by non-Hermitian quadratic Hamiltonians. We state a direct connection between coherent states and Lagrangian frames. For the time evolution a multivariate polynomial recursion is…
The Generalized Eigenvalue Problem (GEVP) has been used extensively in the past in order to reliably extract energy levels from time-dependent Euclidean correlators calculated in Lattice QCD. We propose a formulation of the GEVP in…