相关论文: Optical properties of periodic systems within the …
We present a comprehensive theoretical framework for calculating the linear and nonlinear optical responses of time-periodic quantum systems. Using density matrix evolution in the Floquet basis and adopting the length gauge, our approach…
Coherent nonlinear optical micro-spectroscopy is a frequently used tool in modern material science, as it is sensitive to many different local observables, which comprise, among others, crystal symmetry and vibrational properties. The…
The capability of optical resonators to extend the effective radiation-matter interaction length originates from a multipass effect, hence is intrinsically limited by the resonator quality factor. Here, we show that this constraint can be…
In the present work we propose a theory for obtaining successively better approximations to the linear response functions of time-dependent density or current-density functional theory. The new technique is based on the variational approach…
We use density functional theory to investigate adsorption of liquid mixtures on solid surfaces modified with end-grafted chains. The chains are modelled as freely joined spheres. The fluid molecules are spherical. All spherical species…
An optical absorption spectrum constitutes one of the most fundamental material characteristics, with relevant applications ranging from material identification to energy harvesting and optoelectronics. However, the database of both…
The optical interaction of light and matter is modeled as an oscillating dipole in a plane wave. We analyze absorption, scattering and extinction for this system by the energy flow, which is depicted by streamlines of the Poynting vector.…
We study high frequency response functions, notably the optical conductivity, in the vicinity of quantum critical points (QCPs) by allowing for both detuning from the critical coupling and finite temperature. We consider general dimensions…
We propose an alternative formulation of Many-Body Perturbation Theory that uses the density-functional concept. Instead of the usual four-point integral equation for the polarizability, we obtain a two-point one, that leads to excellent…
We study optical spectra of finite electronic quantum systems at frequencies smaller than the plasma frequency using a quasi-classical approach. This approach includes collective effects and enables us to analyze how the nature of the…
We report the optical absorption characteristics and the photocurrent spectra for large-area molecular junctions containing different molecular structures and thicknesses. Through experimental assessment of the optical absorption of…
The optical conductivity is the basic defining property of materials characterizing the current response toward time-dependent electric fields. In this work, following the approach of Kubo's response theory, we study the general properties…
Time-resolved photoemission spectroscopy provides a unique and direct way to explore the real-time nonequilibrium dynamics of electrons and holes. The formal theory of the spectral function evolution requires inclusion of electronic…
In the presence of a (time-dependent) macroscopic electric field the electron dynamics of dielectrics cannot be described by the time-dependent density only. We present a real-time formalism that has the density and the macroscopic…
Recently, an approach for metallic superlattices based on the finite periodic systems theory was introduced \cite{Pereyra2020}. Unlike most, if not all, of the published approaches that are valid in the $n \rightarrow \infty $ limit, the…
Optical transitions in a semiconductor quantum dot are theoretically investigated, with emphasis on the coupling to longitudinal optical phonons, and including excitonic effects. When limiting to a finite number of $m$ electron and $n$ hole…
We present linear response theories in the continuum capable of describing photoionization spectra and dynamic polarizabilities of finite systems with no spatial symmetry. Our formulations are based on the time-dependent local density…
We establish a steady-state theory for nonlinear optical conductivity in pseudo-Hermitian systems. We derive compact formulas for the first and second order conductivity tensors in both the velocity and length gauges and prove their exact…
We introduce a numerically exact and computationally feasible nonlinear-response theory developed for lossy superconducting quantum circuits based on a framework of quantum dissipation in a minimally extended state space. Starting from the…
X-ray absorption spectroscopy yields direct access to the electronic and geometric structure of hybrid inorganic-organic interfaces formed upon adsorption of complex molecules at metal surfaces. The unambiguous interpretation of…