Magnetic dipole radiation tailored by substrates: numerical investigation

Nanoparticles of high refractive index materials can possess strong magnetic polarizabilities and give rise to artificial magnetism in the optical spectral range. While the response of individual dielectric or metal spherical particles can be described analytically via multipole decomposition in the Mie series, the influence of substrates, in many cases present in experimental observations, requires different approaches. Here, the comprehensive numerical studies of the influence of a substrate on the spectral response of high- index dielectric nanoparticles were performed. In particular, glass, perfect electric conductor, gold, and hyperbolic metamaterial substrates were investigated. Optical properties of nanoparticles were characterized via scattering cross-section spectra, electric field profiles, and induced electric and magnetic moments. The presence of substrates was shown to introduce significant impact on particle's magnetic resonances and resonant scattering cross-sections. Variation of substrate material provides an additional degree of freedom in tailoring properties of emission of magnetic multipoles, important in many applications.Comment: 10 page, 28 figure

Metamaterial Polarization Converter Analysis: Limits of Performance

In this paper we analyze the theoretical limits of a metamaterial converter that allows for linear-to- elliptical polarization transformation with any desired ellipticity and ellipse orientation. We employ the transmission line approach providing a needed level of the design generalization. Our analysis reveals that the maximal conversion efficiency for transmission through a single metamaterial layer is 50%, while the realistic re ection configuration can give the conversion efficiency up to 90%. We show that a double layer transmission converter and a single layer with a ground plane can have 100% polarization conversion efficiency. We tested our conclusions numerically reaching the designated limits of efficiency using a simple metamaterial design. Our general analysis provides useful guidelines for the metamaterial polarization converter design for virtually any frequency range of the electromagnetic waves.Comment: 10 pages, 11 figures, 2 table

Software for the frontiers of quantum chemistry:An overview of developments in the Q-Chem 5 package

This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange–correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear–electronic orbital method, and several different energy decomposition analysis techniques. High-performance capabilities including multithreaded parallelism and support for calculations on graphics processing units are described. Q-Chem boasts a community of well over 100 active academic developers, and the continuing evolution of the software is supported by an “open teamware” model and an increasingly modular design

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange-correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear-electronic orbital method, and several different energy decomposition analysis techniques. High-performance capabilities including multithreaded parallelism and support for calculations on graphics processing units are described. Q-Chem boasts a community of well over 100 active academic developers, and the continuing evolution of the software is supported by an "open teamware" model and an increasingly modular design