Related papers: Size-dependent effects in solutions of small metal…
Ion transport through nanoscale channels and pores is pivotal to numerous natural processes and industrial applications. Experimental investigation of the kinetics and mechanisms of such processes is, however, hampered by the limited…
Multiscale plasmonic systems e.g. extended metallic nanostructures with sub-nanometer inter-distances) play a key role in the development of next-generation nano-photonic devices. An accurate modeling of the optical interactions in these…
We discuss future directions in the development of classical hadrodynamics for extended nucleons, corresponding to nucleons of finite size interacting with massive meson fields. This new theory provides a natural covariant microscopic…
A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…
Strong field photoemission and electron recollision provide a viable route to extract electronic and nuclear dynamics from molecular targets with attosecond temporal resolution. However, since an {\em ab-initio} treatment of even the…
Using adaptive algorithms, the design of nano-scale dielectric structures for photonic applications is explored. Widths of dielectric layers in a linear array are adjusted to match target responses of optical transmission as a function of…
\textit{Ab initio} quantum Monte Carlo (QMC) methods in principle allow for the calculation of exact properties of correlated many-electron systems, but are in general limited to the simulation of a finite number of electrons $N$ in…
We have recently developed a method based on relativistic time-dependent density functional theory (TD-DFT) that allows the calculation of electronic spectra in solution (Creutzberg, Hedeg{\aa}rd, J. Chem. Theory Comput.18, 2022, 3671).…
Nanoparticles grown in reactive plasmas and nanodusty plasmas gain high interest from basic science and technology. One of the great challenges of nanodusty plasmas is the in-situ diagnostic of the nanoparticle size and refractive index.…
We study the optical responses of metal nanoparticle chains. Multiple scattering calculations are used to study the extinction cross sections of silver nanosphere chains of finite length embedded in a glass matrix. The transmission and…
In this thesis we review recent progresses on Nonlinear Integral Equation approach to finite size effects in two dimensional integrable quantum field theory with boundaries, with emphasis to sine-Gordon model with Dirichlet boundary…
The interest in the topological properties of materials brings into question the problem of topological phase transitions. As a control parameter is varied, one may drive a system through phases with different topological properties. What…
We present a computational approach for electronically correlated metallic surfaces and interfaces, which combines Density Functional and Dynamical Mean Field Theory using a multi-orbital perturbative solver for the many-body problem. Our…
Strutinsky's averaging(SA) method is applied to multiquark droplets to systematically extract the smooth part of the exact quantal energy and thereby the shell correction energies. It is shown within the bag model that the…
Photo-induced synthesis and control over the size and shape of colloidal silver nanoparticles is investigated in contrast to photo-stimulated aggregation of small nanoparticles into large fractal-type structures. The feasibility of…
Plasmonic resonances in metallic nanoparticles are exploited to create efficient optical filtering functions. A Finite Element Method is used to model metallic nanoparticles gratings. The accuracy of this method is shown by comparing…
We present an implementation of time-dependent density-functional theory (TDDFT) in the linear response formalism enabling the calculation of low energy optical absorption spectra for large molecules and nanostructures. The method avoids…
The Polarizable Continuum Model (PCM) can be used in conjunction with Density Functional Theory (DFT) and its time-dependent extension (TDDFT) to simulate the electronic and optical properties of molecules and nanoparticles immersed in a…
We present a method of incorporating the discrete dipole approximation (DDA) method with the point matching method to formulate the T-matrix for modeling arbitrarily shaped micro-sized objects. The \emph{T}-matrix elements are calculated…
Films of oxides doped with transition metals are frequently believed to have magnetic inclusions. Magnetic methods to determine the amount of nanophases and their magnetic characteristics are described. The amount of the sample that is…