Plasmonic systems, such as metal nanoparticles, are widely used in different areas of
application, going from biology to photovoltaics. The modeling of the optical response of …

Plasmonic metal nanoparticles (PMNPs) are capable of localized surface plasmon
resonance (LSPR) and have become an important component in many experimental …

Time-dependent density functional theory (TDDFT) based approaches have been
developed in recent years to model the excited-state properties and transition processes of …

This work is devoted to deriving and implementing analytic second-and third-order energy
derivatives with respect to the nuclear coordinates and external electric field within the …

This chapter is dedicated to the general volume-discretization method, known as the
discrete dipole approximation (DDA). The main DDA equations are presented for local non …

We addressed the deposition of silver nanoparticles (Ag NPs) onto graphene oxide (GO) in
the form of powder and paper (GOP), functionalized with amines and non-functionalized, for …

ACE-Molecule (advanced computational engine for molecules) is a real-space quantum
chemistry package for both periodic and non-periodic systems. ACE-Molecule adopts a …