The GW approximation in electronic structure theory has become a widespread tool for
predicting electronic excitations in chemical compounds and materials. In the realm of …

Despite the traditional plasmonic materials are counted on one hand, there are a lot of
possible combinations leading to alloys with other elements of the periodic table, in …

The behavior of metals across a broad frequency range from microwave to ultraviolet
frequencies is of interest in plasmonics, nanophotonics, and metamaterials. Depending on …

Decay of surface plasmons to hot carriers finds a wide variety of applications in energy
conversion, photocatalysis and photodetection. However, a detailed theoretical description …

We present an implementation of G 0 W 0 calculations including spin–orbit coupling (SOC)
enabling investigations of large systems, with thousands of electrons, and we discuss results …

The recently synthesized two-dimensional (2D) MoSi2N4 material with a proper band gap
and excellent environmental stability promises potential optoelectronic applications. On the …

This paper studies the UV–vis absorbance of colloidal gold nanoparticles at 400 nm and
validates it as a method to determine Au (0) concentrations in colloidal gold solutions. The …

The GW-technology corrects the Kohn–Sham (KS) single particle energies and single
particle states for artifacts of the exchange-correlation (XC) functional of the underlying …

Photocatalysis induced by localized surface plasmon resonance of metallic nanoparticles
has been studied for more than a decade, but photocatalysis originating from direct …

We perform benchmark calculations of the Bethe–Salpeter vertical excitation energies for
the set of 28 molecules constituting the well-known Thiel's set, complemented by a series of …