Related papers: Analytical infrared intensities for periodic syste…
We introduce a new approach to density functional theory based on kinetic theory, showing that the Kohn-Sham equations can be derived as a macroscopic limit of a suitable Boltzmann kinetic equation in the limit of small mean free path…
We present new techniques for inertial-sensing atom interferometers which produce multiple phase measurements per experimental cycle. With these techniques, we realize two types of multiport measurements, namely quadrature phase detection…
The dielectric properties of molecules or nanostructures are usually modified in a complex manner, when assembled into a condensed phase. We propose a first-principles method to compute polarizabilities of sub-entities of solids and…
We introduce a general, variational scheme applied to Kohn-Sham density functional theory that allows for partitioning of the ground-state density matrix into distinct spectral domains, each of which spanned by an independent diagonal…
We report on the theory and experimental generation of a class of diffraction-attenuation-resistant beams with state of polarization (SoP) and intensity that can be controlled on demand along the propagation direction. This is achieved by a…
We develop a new framework to optimize and understand uncertainty from in situ strong field measurements of laser field parameters. We present the first derivation of quantum and classical Fisher information for an electron undergoing…
This paper extends the semianalytical treatment of fast ion current density to take into account time dependence and velocity diffusion using solutions of Boltzmann equation with a complete Coulomb collision term (Goncharov et al. 2010…
The large quantity and high quality of modern radio and infrared line observations require efficient modeling techniques to infer physical and chemical parameters such as temperature, density, and molecular abundances. We present a computer…
Extended Drude model formalism has been successfully utilized for analyzing optical spectra of strongly correlated electron systems including heavy-fermion systems and high-$T_c$ superconducting iron pnictides and cuprates. Furthermore,…
Outlined here is a technique for sub-wavelength infrared surface imaging performed using a phase matched optical parametric oscillator laser and an atomic force microscope as the detection mechanism. The technique uses a novel surface…
We study the problem of non-parametric Bayesian estimation of the intensity function of a Poisson point process. The observations are $n$ independent realisations of a Poisson point process on the interval $[0,T]$. We propose two related…
We formulate a time-dependent density functional theory for the coupled dynamics of electrons and nuclei that goes beyond the Born-Oppenheimer (BO) approximation. We prove that the time-dependent marginal nuclear probability density…
The interaction of partially ionized plasmas with an electromagnetic field is investigated using quantum statistical methods. A general statistical expression for the current density of a plasma in an electromagnetic field is presented and…
The population of stellar-mass, compact object binaries that merge with non-negligible eccentricity may be large enough to motivate searches with ground-based gravitational wave detectors. Such events could be exceptional laboratories to…
We present accurate optical spectra of semiconductors and insulators within a pure Kohn-Sham time-dependent density-functional approach. In particular, we show that the onset of the absorption is well reproduced when comparing to…
In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the dependence of the energy of an orbital on its fractional occupation. This unphysical behavior translates into qualitative and quantitative errors…
We investigate the energy spectrum for hybrid mechanical systems described by non-parity-symmetric quantum Rabi models. A set of analytical solutions in terms of the confluent Heun functions and their analytical energy spectrum are…
We calculate the energy deposition by very short laser pulses in SiO_2 (alpha-quartz) with a view to establishing systematics for predicting damage and nanoparticle production. The theoretical framework is time-dependent density functional…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
In this work, analytical formulas for the static multipole polarizabilities of hydrogen-like ions are derived by using the analytical wave functions and the reduced Green function and by applying a numerical fitting procedure. Our results…