Related papers: Nanoplasmonics simulations at the basis set limit …

We present a scheme to controllably improve the accuracy of tight-binding Hamiltonian matrices derived by projecting the solutions of plane-wave ab initio calculations on atomic orbital basis sets. By systematically increasing the…

Excitation of surface-plasmon resonances of closely spaced nanometallic structures is a key technique used in nanoplasmonics to control light on subwavelength scales and generate highly confined electric-field hotspots. In this paper we…

Simultaneous spatio-temporal confinement of energetic electron pulses to femtosecond and nanometer scales is a topic of great interest in the scientific community, given the potential impact of such development on a wide spectrum of…

We investigate plasmon resonances in gold nanoparticles to enhance the quantum yield of upconverting materials. For this purpose, we use a rate equation model that describes the upconversion of trivalent erbium based upconverters. Changes…

A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a multi-configurational self-consistent field calculation…

Topology optimization techniques have been applied in integrated optics and nanophotonics for the inverse design of devices with shapes that cannot be conceived by human intuition. At optical frequencies, these techniques have only been…

An efficient method for calculating the electronic structure of systems that need a very fine sampling of the Brillouin zone is presented. The method is based on the variational optimization of a "single" (i.e. common to all points in the…

We present an ab-initio study of the hybridization of localized surface plasmons in a metal nanoparticle dimer. The atomic structure, which is often neglected in theoretical studies of quantum nanoplasmonics, has a strong impact on the…

Atomic basis sets are widely employed within quantum mechanics based simulations of matter. We introduce a machine learning model that adapts the basis set to the local chemical environment of each atom, prior to the start of self…

The temporal modulation of material parameters enables optical amplification within linear media. Here we consider the fundamental building block of plasmonics, a subwavelength metal nanoparticle, and study how temporal modulation alters…

We study an optical response of a system of two parallel close metallic cylinders having nanoscale dimensions. Surface plasmon excitation in the gap between the cylinders are specifically analyzed. In particular, resonance frequencies and…

Reduced basis methods provide a powerful framework for building efficient and accurate emulators. Although widely applied in many fields to simplify complex models, reduced basis methods have only been recently introduced into nuclear…

When the sizes of photonic nanoparticles are much smaller than the excitation wavelength, their optical response can be efficiently described with a series of polarizability tensors. Here, we propose a universal method to extract the…

The nonclassical modification of plasmon-assisted fluorescence enhancement is theoretically explored by placing two-level dipole emitters at the narrow gaps encountered in canonical plasmonic architectures, namely dimers and trimers of…

We present a first-principles computer code package (ABACUS) that is based on density functional theory and numerical atomic basis sets. Theoretical foundations and numerical techniques used in the code are described, with focus on the…

Extreme field localization and giant field enhancement are often achieved by using plasmonic nanostructures and metamaterials such as strongly coupled silver nanoparticles.Dielectric particles and structures can focus light beyond the…

The temporal response of resonances in nanoplasmonic structures typically converts an incoming few-cycle field into a much longer near-field at the spot where non-linear physical phenomena including electron emission, recollision and…

Locality of compact one-electron orbitals expanded strictly in terms of local subsets of basis functions can be exploited in density functional theory (DFT) to achieve linear growth of computation time with systems size, crucial in…

The electronic structure and optical properties of metallic nanoshells are investigated using a jellium model and the Time Dependent Local Density Approximation (TDLDA). An efficient numerical implementation enables applications to…

Quantum effects of plasmonic phenomena have been explored through ab-initio studies, but only for exceedingly small metallic nanostructures, leaving most experimentally relevant structures too large to handle. We propose instead an…