相关论文: Natural optical activity from density-functional p…
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…
This paper gives a theoretical formulation of the electromagnetic response of the quasi-two-dimensional (Q2D) crystals suitable for investigation of optical activity and polariton modes. The response to external electromagnetic field is…
Few years ago we started the investigation of microscopic Optical Potentials (OP) in the framework of chiral effective field theories and published our results in a series of manuscripts. Starting from the very first work, where a…
The nucleon spectral function in infinite nuclear matter is calculated in a quantum transport theoretical approach. Exploiting the known relation between collision rates and correlation functions the spectral function is derived…
We present a method of Gaussian-beam-mode decomposition to calculate classical diffraction of optical beams by apertures. This method offers a entirely different approach to examine the classic problem. Although our method is based on a…
The model of nonlinear interaction of proper waves of photonic crystal with plane acoustic wave was developed. The formulation of the model is reduced to the eigenvalue problem, which can be solved by computer simulations. By means of the…
The increasing complexity of neural networks and the energy consumption associated with training and inference create a need for alternative neuromorphic approaches, e.g. using optics. Current proposals and implementations rely on physical…
First-principles calculation of nonlinear magneto-optical effects has become an indispensable tool to reveal the geometric and topological nature of electronic states and to understand light-matter interactions. While intriguingly rich…
Modern Brueckner-Hartree-Fock (BHF) calculations are very successful in describing various properties of symmetric and asymmetric nuclear matter. Within BHF theory a microscopic optical potential (MOP) for nucleon-nucleus scattering is…
We propose a first-principles scheme for the description of the magneto-optical kerr effect within density functional theory (DFT). Though the computation of Kerr parameters is often done within DFT, starting from the conductivity or the…
Non-perturbative study of "real-time" field theories is difficult due to the sign problem. We use Bold Schwinger-Dyson (SD) equations to study the real-time $\phi^4$ theory in $d=4$ beyond the perturbative regime. Combining SD equations in…
The analytic energy gradients in the atomic orbital representation have recently been published (J. Chem. Phys. 146, 014102, 2017) within the framework of the natural orbital functional theory (NOFT). We provide here an alternative…
Defects play an important role in a number of fields dealing with ordered structures. They are often described in terms of their topology, mutual interaction and their statistical characteristics. We demonstrate theoretically and…
By introducing the self-energy density functionals for the dissipative interactions between the reduced system and its environment, we develop a time-dependent density-functional theory formalism based on an equation of motion for the…
Optical activity is the ability of chiral materials to rotate linearly-polarized (LP) electromagnetic waves. Because of their intrinsic asymmetry, traditional chiral molecules usually lack isotropic performance, or at best only possess a…
We characterize the interaction between a single atom or similar microscopic system and a light field via the scattering ratio. For that, we first derive the electrical field in a strongly focused Gaussian light beam, and then consider the…
We report an efficient algorithm using density fitting for the relativistic complete active space self-consistent field (CASSCF) method, which is significantly more stable than the algorithm previously reported by one of the authors [J. E.…
We describe how weak phase modulations applied to classical coherent light in specially modified linear interferometers can be used to perform primitive computational tasks. Instead of encoding operations within a fixed unitary state, the…
Calculating microscopic optical potentials for elastic nucleon-nucleus scattering has already led to large body of work in the past. For folding first-order calculations the nucleon-nucleon (NN) interaction and the one-body density of the…
We present a framework for obtaining reliable solid-state charge and optical excitations and spectra from optimally-tuned range-separated hybrid density functional theory. The approach, which is fully couched within the formal framework of…