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A possibility to measure the energy and polarization distributions of high intensity gamma-beams is considered. This possibility is based on measurements of the number of electron-pozitron pairs in such media as laser waves and single…
Absorption, luminescence and Raman spectra of interstitial bismuth atoms, $\mathrm{Bi}^{0}$, and negatively charged dimers, $\mathrm{Bi}^{2-}$, in alumosilicate, germanosilicate, phosphosilicate and phosphogermanate glasses networks are…
Within exact electron density-functional theory, we investigate Kohn-Sham (KS) potentials, orbital energies, and non-interacting kinetic energies of the fractional ions of Li, C and F. We use quantum Monte Carlo densities as input, which…
We rigorously discuss the infrared behavior of the uniform three dimensional dipolar Bose systems. In particular, it is shown that low-temperature physics of the system is controlled by two parameters, namely isothermal compressibility and…
We introduce a new approach for estimating the invariant density of a multidimensional diffusion when dealing with high-frequency observations blurred by independent noises. We consider the intermediate regime, where observations occur at…
We present in this paper a Bayesian parameter estimation method for the analysis of interferometric gravitational wave observations of an inspiral of binary compact objects using data recorded simultaneously by a network of several…
A Gaussian beam method is presented for the analysis of the energy of the high frequency solution to the mixed problem of the scalar wave equation in an open and convex subset, with initial conditions compactly supported in this set, and…
Strong field ionization of benzene, fluorobenzene, benzonitrile and 1-chloro-2-fluorobenzene, is studied within the framework of real-space and real-time time-dependent density functional theory. Analysis of the ionization rates as function…
Electric field gradients and chemical shielding tensors of the stable monoclinic crystal phase of ethanol are computed. The projector-augmented wave (PAW) and gauge-including projector-augmented wave (GIPAW) models in the periodic…
Static electric response properties of atoms and molecules are reported within the real-space Cartesian grid implementation of pseudopotential Kohn-Sham (KS) density functional theory (DFT). A detailed systematic investigation is made for a…
A method is presented for calculating solutions to differential equations analytically for a variety of problems in physics. An iteration procedure based on the recently proposed BLUES (Beyond Linear Use of Equation Superposition) function…
We develop practical schemes for the measurement of the covariance matrix for intrinsic angular-momentum variables in quantum optics. We particularize this approach to two-beam polarimetry and interferometry, as well as to ensembles of…
The kinetic energy distribution function satisfying the Boltzmann equation is studied analytically and numerically for a system of inelastic hard spheres in the case of binary collisions. Analytically, this function is shown to have a…
An efficient mixed deterministic/sparse-stochastic plane-wave approach is developed for bandstructure calculations of large supercell periodic generalized-Kohn-Sham density functional theory, for any hybrid-exchange density functional. The…
In mean-field theory, the non-local state of fluid molecules can be taken into account using a statistical method. The molecular model combined with a density expansion in Taylor series of the fourth order yields an internal energy value…
Quantum universal invariants of general N-beam Gaussian fields are investigated from the point of view of fields' intensity moments. A method that uniquely links these invariants, including the global and marginal fields' purities, to…
We present, within Kohn-Sham Density Functional Theory calculations, a quantitative method to identify and assess the partitioning of a large quantum mechanical system into fragments. We then show how within this framework simple…
In astrochemical exploration, infrared (IR) spectroscopy is vital for understanding the composition and structure of ice in various space environments. This article explores the impact of incident angles on IR spectroscopy, focusing on…
Molecular dipole moments of analytic density-functional theory are investigated. The effect of element-dependent exchange potentials on these moments are examined by comparison with conventional quantum-chemical methods and experiment for…
We present ultra-fast quantum chemical methods for the calculation of infrared and ultraviolet-visible spectra designed to provide fingerprint information during autonomous and interactive explorations of molecular structures.…