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Energy spectroscopy is a powerful tool with diverse applications across various disciplines. The advent of programmable digital quantum simulators opens new possibilities for conducting spectroscopy on various models using a single device.…
A method for characterising the wave-function of freely-propagating particles would provide a useful tool for developing quantum-information technologies with single electronic excitations. Previous continuous-variable quantum tomography…
An embedding method for solving the time-dependent Schr\"odinger equation is developed using the Dirac-Frenkel variational principle. Embedding allows the time-evolution of the wavefunction to be calculated explicitly in a limited region of…
The one-step model of valence-band photoemission and inverse photoemission from single-crystal surfaces is reformulated for generalized (non-local, complex and energy-dependent) potentials. Thereby, it becomes possible to account for…
We illustrate the main points behind the computation of the gravitational wave spectrum originated from a phase in the early universe where the energy density is dominated by highly excited fundamental string degrees of freedom - a Hagedorn…
We study the spectral function, $S(k,\omega)$ for the spin-1, one dimensional antiferromagnetic chain using a time-dependent density matrix renormalizaton group (DMRG) numerical method. We develop methods for extrapolating the time…
The pseudospectral method is a powerful tool for finding highly precise solutions of Schr\"{o}dinger's equation for few-electron problems. We extend the method's scope to wave functions with non-zero angular momentum and test it on several…
A model of localized electron wave packets (EWPs), floating and breathing Gaussians with non-orthogonal valence-bond spin-coupling, is applied to compute the high-harmonic generation (HHG) spectrum from a LiH molecule induced by an intense…
The Helmholtz equation with variable wavenumbers is challenging to solve numerically due to the pollution effect, which often results in a huge ill-conditioned linear system. In this paper, we present a high-order wavelet Galerkin method to…
We theoretically propose a multidimensional high-harmonic echo spectroscopy technique which utilizes strong optical fields to resolve coherent electron dynamics spanning an energy range of multiple electron Volts. Using our recently…
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…
We consider the Hamiltonian $H$ of a 3D spinless non-relativistic quantum particle subject to parallel constant magnetic and non-constant electric field. The operator $H$ has infinitely many eigenvalues of infinite multiplicity embedded in…
In bulk systems, molecules are routinely identified by their vibrational spectrum using Raman or infrared spectroscopy. In recent years, vibrational excitation lines have been observed in low-temperature conductance measurements on single…
We show that the dynamics of (vertical) Franck-Condon excitations in the regime where Holstein-coupled vibrational modes mix strongly with electronic degrees of freedom sharply contrasts with the known self-localized behavior of…
Vibrational environments are commonly considered to be detrimental to the optical emission properties of solid-state and molecular systems, limiting their performance within quantum information protocols. Given that such environments arise…
This work aims at presenting a Discontinuous Galerkin (DG) formulation employing a spectral basis for two important models employed in cardiac electrophysiology, namely the monodomain and bidomain models. The use of DG methods is motivated…
We study the vibrational spectrum of the protonated water dimer, by means of a divide-and-conquer semiclassical initial value representation of the quantum propagator, as a first step in the study of larger protonated water clusters. We use…
In this work the LvN quantization of the type IIB superstring is carried on in a time dependent plane wave background with a constant self-dual Ramond-Ramond 5-form and a linear dilaton in the light-like direction. Such an endeavour allows…
Ab initio computation of two-dimensional electronic spectra is an expanding field, whose goal is improving upon simple, few-dimensional models often employed to explain experiments. Here, we propose an accurate and computationally…
We propose a scheme for investigating the quantum dynamics of interacting electron models by means of time-dependent variational principle and spin coherent states of space lattice operators. We apply such a scheme to the one-dimensional…