Related papers: Photoabsorption in Sodium Clusters: First Principl…
A novel finite-element method for calculating the illumination-dependence of absorption in three-dimensional nanostructures is presented based on the RF module of the COMSOL software package. This method is capable of numerically…
This study presents a detailed quantum chemical investigation of the electronic and excited-state properties of syn- and anti-isomers of the borane cluster B18H22 and their sulfur-doped derivatives. Using the PB86/def2-SVP level of theory…
The optical excitations in $\rug$ and higher fullerenes, including isomers of C$_{76}$, C$_{78}$, and C$_{84}$, are theoretically investigated. We use a tight binding model with long-range Coulomb interactions, treated by the Hartree-Fock…
The ground and excited state properties of small helium clusters, 4He_N, containing nanoscale (~3-10 Angstroms) planar aromatic molecules have been studied with quantum Monte Carlo methods. Ground state structures and energies are obtained…
Collisionless absorption of laser energy by an electron via laser-cluster interaction in an ambient magnetic field ($B_0$) has recently renewed interest. %due to high levels of absorption. Previously, using a rigid sphere model (RSM) and an…
A resonance behaviour of the far infrared absorption probability at a frequency \sim N^{1/4} is predicted for clusters of N electron-hole pairs (2\le N\le 110) confined in disk-shaped quantum dots. For radially symmetric dots, the…
Energy absorption of xenon clusters embedded in helium nanodroplets from strong femtosecond laser pulses is studied theoretically. Compared to pure clusters we find earlier and more efficient energy absorption in agreement with experiments.…
We develop a method to construct a microscopic optical potential from chiral interactions for nucleon-nucleus scattering. The optical potential is constructed by combining the Green's function approach with the coupled-cluster method. To…
In this paper, we report theoretical calculations of the photo-induced absorption (PA) spectrum of naphthalene and anthracene, with the aim of understanding those excited states, which are invisible in the linear optical absorption. The…
We present high-resolution (FWHM ~ 0.3-1.5 km/s) spectra of interstellar Ca I absorption toward 30 Galactic stars. Comparisons of the column densities of Ca I, Ca II, K I, and other species -- for individual components identified in the…
The presence of solvent tunes many properties of a molecule, such as its ground and excited state geometry, dipole moment, excitation energy, and absorption spectrum. Because the energy of the system will vary depending on the solvent…
We present a new theoretical approach to describe X-Ray absorption and Magnetic Circular Dichroism spectra in the presence of e-e correlation. Our approach provides an unified picture to include correlations in both charged and neutral…
Hy brid composites obtained upon blending conjugated polymers and colloidal inorganic semiconductor nanocrystals are regarded as attractive photo-active materials for optoelectronic applications. Here we demonstrate that tailoring…
Chemical and photochemical reactivity, as well as supramolecular organization and several other molecular properties, can be modified by strong interactions between light and matter. Theoretical studies of these phenomena require the…
We present an analysis of the temperature dependence of the optical response of small sodium clusters in a temperature range bracketing the melting phase transition. When the temperature increases, the mean excitation energy undergoes a red…
Disentangling reaction mechanisms in weakly bound nuclei remains a long-standing challenge, often compounded by the treatment of absorption as an incoherent sum of channel contributions. Within the Continuum-Discretized Coupled-Channels…
We study electrostatic correlations in structured solvents confined to nanoscale systems. We derive variational equations of Netz-Orland type for a model liquid composed of finite size dipoles. These equations are solved for both dilute…
Electron energy-loss spectroscopy (EELS) is a powerful tool for imaging chemical variations at the nanoscale. Here, we investigate a polymer/organic small molecule-blend used as absorber layer in an organic solar cell and employ EELS for…
Atomically precise thiolate-stabilized gold nanoclusters are currently of interest for many cross-disciplinary applications in chemistry, physics and molecular biology. Very recently, synthesis and electronic properties of "nanoalloy"…
In this work we show how to maximize absorption of plasmonic nanoparticles in terms of size, geometry and material. For that reason the interaction of nanoparticles with light was decomposed into different effects. We determined that the…