相关论文: Linear and Nonlinear Optical Properties of Molecul…
Optical properties of materials related to light absorption and scattering are explained by the excitation of electrons. The Bethe-Salpeter equation is the state-of-the-art approach to describe these processes from first principles (ab…
Many-body effects are known to play a crucial role in the electronic and optical properties of solids and nano-structures. Nevertheless the majority of theoretical and numerical approaches able to capture the influence of Coulomb…
Nonlinear optics is essential for many recent photonic technologies. Here, we introduce a novel multi-scale approach to simulate the nonlinear optical response of molecular nanomaterials combining ab initio quantum-chemical and classical…
We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B, 76 165106 (2007)] for the electronic structure with the solution of the ladder approximation to the…
The Bethe-Salpeter equation (BSE) combined with the Green's function GW method has successfully transformed into a robust computational tool to describe light-matter interactions and excitation spectra for molecules, solids, and materials…
We have developed a computational method to describe the nonlinear light propagation of an intense and ultrashort pulse at oblique incidence on a flat surface. In the method, coupled equations of macroscopic light propagation and…
Light propagation in optical waveguides with periodically modulated index of refraction and alternating gain and loss are investigated for linear and nonlinear systems. Based on a multiscale perturbation analysis, it is shown that for many…
In this work we present a new procedure to compute optical spectra including excitonic effects and approximated quasiparticle corrections with reduced computational effort. The excitonic effects on optical spectra are included by solving…
Real-time optics and spectroscopy simulations ideally provide results at update rates of 120 Hz or more without any noticeable delay between changing input parameters and the calculated results. Such calculations require models of…
A new method to find the propagation equation system governing the scattering of an electromagnetic wave by a nonlinear medium is proposed. The aim is to let the effects appear spontaneously, deleting as far as possible the phenomenological…
We examine x-ray scattering from an isolated organic molecule from the linear to nonlinear absorptiveregime. In the nonlinear regime, we explore the importance of both the elastic and inelastic channelsand observe the onset of nonlinear…
We present a highly efficient method for the extraction of optical properties of very large molecules via the Bethe-Salpeter equation. The crutch of this approach is the calculation of the action of the effective Coulombic interaction, $W$,…
The performance of organic optoelectronic devices is critically dependent on how molecules orient within organic thin films. Yet, standard characterization techniques only reveal the first and second moments of the molecular orientation…
We introduce a new numerical strategy to solve a class of oscillatory transport PDE models which is able to captureaccurately the solutions without numerically resolving the high frequency oscillations {\em in both space and time}.Such PDE…
Single-file diffusion is a paradigm for strongly correlated classical stochastic many-body dynamics and has widespread applications in soft condensed matter and biophysics. However, exact results for {single-file} systems are sparse and…
A hidden symmetry of the nonlinear wave equation is exploited to analyse the propagation of paraxial and uniform atom-laser beams in time-independent, quadratic and cylindrical potentials varying smoothly along the propagation axis. The…
We present a method for computing optical absorption spectra by means of a Bethe-Salpeter equation approach, which is based on a conserving linear response calculation for electron-hole coherences in the presence of an external…
We put forth an approach to obtain a quantum master equation for the propagation of light in nonlinear fiber optics by relying on simple quantum pictures of the processes (linear and nonlinear) occurring along propagation in an optical…
Many naturally-occuring models in the sciences are well-approximated by simplified models, using multiscale techniques. In such settings it is natural to ask about the relationship between inverse problems defined by the original problem…
The calculation of the equilibrium optical properties of bulk silicon by using the Bethe--Salpeter equation solved in the Kohn--Sham basis represents a cornerstone in the development of an ab--initio approach to the optical and electronic…