相关论文: Natural optical activity from density-functional p…
Optical trapping, where microscopic particles are trapped and manipulated by light is a powerful and widespread technique, with the single-beam gradient trap (also known as optical tweezers) in use for a large number of biological and other…
We present a determination of optical potentials for $^{10}$Be-nucleus collisions using the double-folding method to compute the real part and Kramers-Kronig dispersion relations to derive the imaginary part. As microscopic inputs we use…
Using the quadrature bases that incorporate the spatiotemporal degrees of freedom, we develop a Wigner functional theory for quantum optics, as an extension of the Moyal formalism. Since the spatiotemporal quadrature bases span the complete…
When calculating the optical absorption spectra of molecular crystals from first principles, the influence of the crystalline environment on the excitations is of significant importance. For such systems, however, methods to describe the…
This thesis is devoted to ab initio calculations of ground and excited state properties of different systems within density functional theory and time dependent density functional theory. From the numerical point of view we implemented an…
In 1848 Pasteur conjectured that the rotation of the polarization plane of the light in a dilute dielectric medium is generated by the molecular symmetries of the medium where the light propagates. Our objective is to show that Pasteur…
Zebrafish pretectal neurons exhibit specificities for large-field optic flow patterns associated with rotatory or translatory body motion. We investigate the hypothesis that these specificities reflect the input statistics of natural optic…
Tensor decomposition plays a key role in identifying common features across a collection of matrices in many areas of science. A fundamental need in big data research is to process data tabulated as large-scale matrices using eigenvectors.…
Cascaded operations play an important role in traditional electronic computing systems for the realization of advanced strategies. Here, we introduce the idea of cascaded operations into all-optical spatial analog computing. The single…
To optimize the interaction between chiral matter and highly twisted light, quantities that can help characterize chiral electromagnetic fields near nanostructures are needed. Here, by analogy with Poynting's theorem, we formulate the…
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…
Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…
Magneto-optical response, i.e. optical response in the presence of a magnetic field, is commonly used for characterization of materials and in optical communications. However, quantum mechanical description of electric and magnetic fields…
In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the dependence of the energy of an orbital on its fractional occupation. This unphysical behavior translates into qualitative and quantitative errors…
We present a new tensor network algorithm for calculating the partition function of interacting quantum field theories in 2 dimensions. It is based on the Tensor Renormalization Group (TRG) protocol, adapted to operate entirely at the level…
A microscopic optical potential (OP) is derived from NN chiral potentials at the first-order term within the spectator expansion of the multiple scattering theory and adopting the impulse approximation. The performances of our OP are…
Optical chirality density is widely used as a scalar measure of the chiral properties of electromagnetic fields and their interaction with matter. However, in anisotropic and structured media, a single scalar quantity is generally…
We develop a non-perturbative functional framework for computing real-time correlation functions in strongly correlated systems. The framework is based on the spectral representation of correlation functions and dimensional regularisation.…
Density functional theory for a simple model of dendrimers is proposed. The theory is based on fundamental measure theory which accounts for the hard-sphere repulsion of the segments and on the Wertheim first-order perturbation theory for…
The effective action is computed for the \lphi--theory at finite temperature for small perturbations about a constant background field, using a generalized tadpole method. We find the complete effective action, including the real and…