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We present an extension of the Hamiltonian of the two dimensional limit of the vibron model encompassing all possible interactions up to four-body operators. We apply this Hamiltonian to the modeling of the experimental bending spectrum of…
A theoretical model of resonant hyper-Raman scattering by an ensemble of spherical semiconductor quantum dots has been developed. The electronic intermediate states are described as Wannier-Mott excitons in the framework of the envelope…
We present a quantum algorithm for simulating rovibrational Hamiltonians on fault-tolerant quantum computers. The method integrates exact curvilinear kinetic energy operators and general-form potential energy surfaces expressed in a hybrid…
The first detailed comparison of the low-momentum interaction V_{low k} with G matrices is presented. We use overlaps to measure quantitatively the similarity of shell-model matrix elements for different cutoffs and oscillator frequencies.…
A one-electron Schroedinger equation based on special one-electron potentials for atoms is shown to exist that produces orbitals for an arbitrary molecule that are sufficiently accurate to be used without modification to construct single-…
Accurate description of finite-temperature vibrational dynamics is indispensable in the computation of two-dimensional electronic spectra. Such simulations are often based on the density matrix evolution, statistical averaging of initial…
We use our variable Eddington tensor (VET) radiation hydrodynamics code to perform two-dimensional simulations to study the impact of radiation forces on atmospheres composed of dust and gas. Our setup closely follows that of Krumholz &…
This companion paper to [D. Picconi et al., J. Chem. Phys. 150 (2019)] presents quantum dynamical simulations, using the Gaussian-based multiconfigurational time-dependent Hartree (G-MCTDH) method, of time-resolved coherent Raman…
We present a novel ab-initio single-electron approach to correlated electron dynamics in strong laser fields. By writing the electronic wavefunction as a product of a marginal one-electron wavefunction and a conditional wavefunction, we…
We have determined the vibrational properties of a sodium tetrasilicate (Na$_{2}$Si$_{4}$O$_{9}$) glass model generated by molecular dynamics simulations. The study has been carried out using a classical valence force fields approach as…
The equilibrium state of a system consisting of a large number of strongly interacting electrons can be characterized by its density operator. This gives a direct access to the ground-state energy or, at finite temperatures, to the free…
We theoretically study the resonance fluorescence spectra of the lambda ($\Lambda$), vee ($V$) and cascade ($\Xi$) type three-level configurations. It is shown that each system with two detuning frequencies can be modelled using the $SU(3)$…
Using the Dyson equation of motion for both the diagonal one-particle Green function, $G(\vec{k},\omega)$ and off--diagonal Green function, $F(\vec{k},\omega)$, at the level of the Hubbard--I decoupling scheme, we have found that they have…
In this paper we consider the photon vortex beam in the rotating medium, where the rotating velocity acts as an effective vector potential. Using the Riemann-Silberstein vector, we construct the photon wave function. Using the Maxwell…
Higher lying excited states beyond S1 and T1 are widely recognized in many photophysical systems, including thermally activated delayed fluorescence (TADF). However, their explicit and quantitative impact on photophysical observables such…
We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic…
We investigate the general relativistic phase of an electromagnetic wave as it propagates in the gravitational field of the Earth, which is modeled as an isolated, weakly aspherical gravitating body. We introduce coordinate systems to…
Anisotropic and spatially dispersive graphene patches of arbitrary shape embedded in planarly layered uniaxial media are analyzed using spectral-domain method of moments. Formulation and computational methods for the spectral-domain method…
Large-N volume independence in circle-compactified QCD with N_f \geq 1 adjoint Weyl fermions implies the absence of any phase transitions as the radius is dialed to arbitrarily small values. This class of theories are believed to possess a…
We study pairing vibrations in $^{18,20,22}$O and $^{42,44,46}$Ca nuclei solving the time-dependent Hartree-Fock-Bogoliubov equation in coordinate space with spherical symmetry. We use the SLy4 Skyrme functional in the normal part of the…