Related papers: Analytical infrared intensities for periodic syste…
We introduce methods for estimating the spectral density of a random field on a $d$-dimensional lattice from incomplete gridded data. Data are iteratively imputed onto an expanded lattice according to a model with a periodic covariance…
We derive the charge density up to second order in spatial gradient in inhomogeneous crystals using the semiclassical coarse graining procedure based on the wave packet method. It can be recast as divergence of polarization, whose…
Ongoing and future surveys with repeat imaging in multiple bands are producing (or will produce) time-spaced measurements of brightness, resulting in the identification of large numbers of variable sources in the sky. A large fraction of…
High-resolution tunable laser spectroscopy is used to measure time-resolved absorption spectra for ten neutral uranium transitions and six singly-ionized transitions in a laser produced plasma. Spectral lineshapes are analyzed to determine…
Characterizing resonant scatterers is challenging because their poles and zeros usually lie away from the real-frequency axis, whereas most measurements sample only real frequencies and infer off-axis behavior from fitted models. Here we…
Nonlinear spectroscopy provides a unique perspective to understand time-resolved molecular dynamics under vibrational strong coupling (VSC). Herein, equilibrium-nonequilibrium cavity molecular dynamics simulations are performed to compute…
We show that the energetics and lifetimes of resonances of finite systems under an external electric field can be captured by Kohn--Sham density functional theory (DFT) within the formalism of uniform complex scaling. Properties of…
An alternative method for computing dipole-dipole interaction energy in systems of 1D and 2D periodicity like nanowires, nanotubes and thin films is presented. The approach is based on the use of periodic Green's functions that satisfy…
In a recent article (P.Wochner et al., PNAS (2009)) x-ray scattering intensity correlations around a ring, in the speckle diffraction pattern of a colloidal glass, were shown to display a remarkable ~ cos(n $\phi$) dependence on the angular…
A simple analytical ansatz, which has been used to describe the intensity profile of the similariton laser (a laser with self-similar propagation of ultrashort pulses), is used as a variational wave function to solve the Gross-Pitaevskii…
We study infrared divergences in quantum electrodynamics using geometric phases and the adiabatic approximation in quantum field theory. In this framework, the asymptotic \textit{in} and \textit{out} states are modified by Berry phases,…
The microscopic approach to the description of the phase behaviour and critical phenomena in binary fluid mixtures is proposed. It is based on the method of collective variables with a reference system. The physical nature of the order…
Condensed matter physics is often concerned with determining the response of a solid to an external stimulus. This paper revisits and extends the microscopic formalism for calculating response coefficients -- here referred to as…
We show that, in strongly chaotic dynamical systems, the average particle velocity can be calculated analytically by consideration of Brownian dynamics in phase space, the method of images and use of the classical diffusion equation. The…
A model is developed, based on the density functional perturbation theory and the inverse Kohn-Sham method, that can be used to improve relativistic nuclear energy density functionals towards an exact but unknown Kohn-Sham…
Transition intensities for small molecules such as water and CO$_2$ can now be computed with such high accuracy that they are being used to systematically replace measurements in standard databases. These calculations use high accuracy ab…
We propose a new generalised Kohn-Sham or constrained hybrid method, where the exchange potential is the (equally weighted) average of the nonlocal Fock exchange term and the self-interaction-corrected exchange potential, as obtained from…
We consider chiral, generally nonlinear density waves in one dimension, modelling the bosonized edge modes of a two-dimensional fermionic topological insulator. Using the coincidence between bosonization and Lie-Poisson dynamics on an…
The standard way to calculate the Kohn-Sham orbitals utilizes an approximation of the potential. The approximation consists in a projection of the potential into a finite subspace of basis functions. The orbitals, calculated with the…
A unified, Bayesian inference of midplane electron temperature and density profiles using both Thompson scattering (TS) and interferometric data is presented. Beyond the Bayesian nature of the analysis, novel features of the inference are…