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Multidimensional spectroscopy unveils the interplay of nuclear and electronic dynamics, which characterizes the ultrafast dynamics of various molecular and solid-state systems. In a class of models widely used for the simulation of such…
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…
We present a detailed study of the dynamics of electronic wavepackets in Fibonacci semiconductor superlattices, both in flat band conditions and subject to homogeneous electric fields perpendicular to the layers. Coherent propagation of…
Excited states play a central role in determining the physical properties of quantum matter, yet their accurate computation in many-body systems remains a formidable challenge for numerical methods. While neural quantum states have…
We propose a numerical method which embeds the variational non-Gaussian wavefunction approach within exact diagonalization, allowing for efficient treatment of correlated systems with both electron-electron and electron-phonon interactions.…
The effective Hamiltonian of strongly correlated electrons on a square lattice is replaced by a renormalised Hamiltonian and the factors that renormalise the kinetic energy of holes and the Heisenberg spin-spin coupling are calculated using…
We present a preconditioning method for the multi-dimensional Helmholtz equation with smoothly varying coefficient. The method is based on a frame of functions, that approximately separates components associated with different singular…
We consider a 1D Klein-Fock-Gordon particle in a finite interval, or box. We construct for the first time the most general set of pseudo self-adjoint boundary conditions for the Hamiltonian operator that is present in the first order in…
A new synchrotron study for CH$_2$F$_2$ from has been combined with earlier data. The onset of absorption, band I and also band IV, is resolved into broad vibrational peaks, which contrast with the continuous absorption previously claimed.…
We apply a variational method devised for the nuclear many--body problem to the 1-dimensional Hubbard--model with nearest neighbor hopping and periodic boundary conditions. The test wave function consist for each state out of a single…
The experimental valence band photoemission spectrum of semiconductors exhibits multiple satellites that cannot be described by the GW approximation for the self-energy in the framework of many-body perturbation theory. Taking silicon as a…
We introduce new hybridizable discontinuous Galerkin (HDG) methods for solving the two-dimensional vector Laplacian equation under three types of boundary conditions: electric, magnetic, and Dirichlet. The method is formulated on a…
We construct an explicit solution of the Cauchy initial value problem for the one-dimensional Schroedinger equation with a time-dependent Hamiltonian operator for the forced harmonic oscillator. The corresponding Green function (propagator)…
Accurately simulating molecular vibronic spectra remains computationally challenging due to the exponential scaling of required calculations. Here, we show that employing the linear coupling model within the gaussian boson sampling…
In this work we set up a model Hamiltonian to study the excited state quantum dynamics of 1,1-difluoroethylene, a molecule that has equivalent atoms exchanged by a torsional symmetry operation leading to equivalent minima on the potential…
Recent electron quantum optics experiments performed with on-demand single electron sources call for a mixed time/frequency approach to electronic quantum coherence. Here, we present a Wigner function representation of first order…
We combine the semiclassical Herman--Kluk approximation with the coherence thermofield dynamics in order to evaluate vibrationally resolved electronic spectra at nonzero temperatures. In coherence thermofield dynamics, the dipole time…
We study low-lying excitations in the 1D $S=1$ antiferromagnetic valence-bond-solid (VBS) model. In a numerical calculation on finite systems the lowest excitations are found to form a discrete triplet branch, separated from the…
In this work we include electron-electron interaction beyond Hartree-Fock level in our non-equilibrium Green's function approach by a crude form of GW through the Single Plasmon Pole Approximation. This is achieved by treating all…
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…