相关论文: Density matrix calculation of optical constants fr…
Optical constants characterize the interaction of materials with light and are important properties in material design. Here we present a Python-based Corvus workflow for simulations of full spectrum optical constants from the UV-VIS to…
The calculation of the optical properties of hot dense plasmas with a model that has self-consistent plasma physics is a grand challenge for high energy density science. Here we exploit a recently developed electronic structure model that…
Modelling of stellar radiative intensities in various spectral pass-bands plays an important role in stellar physics. At the same time the direct calculations of the high-resolution spectrum and then integrating it over the given spectral…
We present Frequency Marching, FM, an algorithm that refines three-dimensional electron density distributions from solution X-ray scattering data in both the small- and wide-angle regimes. This algorithm is based on a series of optimization…
This paper describes an inverse analysis method using neural networks on optical spectroscopy, and its application to the quantitative optical constant evaluation. The present method consists of three subprocesses. First, measurable…
In physics, it is sometimes desirable to compute the so-called \emph{Density Of States} (DOS), also known as the \emph{spectral density}, of a real symmetric matrix $A$. The spectral density can be viewed as a probability density…
We develop an abstract look at linear optical networks from the viewpoint of combinatorics and permanents. In particular we show that calculation of matrix elements of unitarily transformed photonic multi-mode states is intimately linked to…
A new method for calculating optical absorption spectra within linear-scaling density-functional theory (LS-DFT) is presented, incorporating a scheme for optimizing a set of localized orbitals to accurately represent unoccupied Kohn-Sham…
A new method for examining the possible space-time variation of the fine structure constant ($\alpha$) is proposed. The technique uses a relatively simple measurement with an optical resonator to compare atom-stabilized optical frequency…
A method is presented to calculate from first principles the higher-order elastic constants of a solid material. The method relies on finite strain deformations, a density functional theory approach to calculate the Cauchy stress tensor,…
Theoretical material investigation based on density functional theory (DFT) has been a breakthrough in the last century. Nevertheless, the optical properties calculated by DFT generally show poor agreement with experimental results…
Predicting the optical response of macroscopic arrangements of individual scatterers is a computational challenge, as the problem involves length scales across multiple orders of magnitude. We present a full-wave optical method to highly…
In this paper we present an approach aimed at calculating the optical dielectric constant of crystalline insulators both at the Hartree-Fock, and correlated levels. Our scheme employs a real-space methodology, employing Wannier functions as…
When light hits a multilayer planar stack, it is reflected, refracted, and absorbed in a way that can be derived from the Fresnel equations. The analysis is treated in many textbooks, and implemented in many software programs, but certain…
The derivation of a function is a fundamental tool for solving problems in calculus. Consequently, the motivations for investigating physical systems capable of performing this task are numerous. Furthermore, the potential to develop an…
A brief overview is given on precision determinations of values of the fundamental physical constants and the search for their variation with time by means of precision spectroscopy in the optical domain.
Electro-optic (EO) effects relate the change of optical constants by low-frequency electric fields. Thanks to the advent of Density Functional Perturbation Theory (DFPT), the EO properties of bulk three-dimensional (3D) materials can now be…
The optimization of an optical system benefits greatly from a study of its aberrations and an identification of each of its elements' contribution to the overall aberration figures. The matrix formalism developed by one of the authors was…
We present a new method to calculate optical properties of strongly correlated systems. It is based on dynamical mean field theory and it uses as an input realistic electronic structure obtained by local density functional calculations.…
A connection between fractional calculus and statistical distribution theory has been established by the authors recently. Some extensions of the results to matrix-variate functions were also considered. In the present article, more results…