Related papers: Optical response of small magnesium clusters
Boron clusters have been widely studied theoretically for their geometrical properties and electronic structure using a variety of methodologies. An important cluster of boron is the B$_{12}$ cluster whose two main isomers have distinct…
The linear optical absorption spectra in neutral boron cluster B$_{6}$ and cationic B$_{6}^{+}$ are calculated using a first principles correlated electron approach. The geometries of several low-lying isomers of these clusters were…
A new type of resonant light absorption by a small particle (nanocluster) is reported. The problem cannot be described within the commonly used dipole scattering approximation and should be studied with methods based upon the exact Mie…
We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local…
The electronic structure and optical absorption spectrum of V^{0} and V^{-} center in MgO are investigated using first-principles calculations based on density functional theory. It is demonstrated that the configuration with distortion is…
The optical absorption properties of graphene wrapped dielectric particles have been investigated by using Mie scattering theory and exact multi-scattering method. It is shown that subwavelength strong absorption in infrared spectra can…
The time-dependent local density approximation is applied to the optical response of the silver clusters, Ag_2, Ag_3, Ag_8 and Ag_9^+. The calculation includes all the electrons beyond the closed-shell Ag^{+11} ionic core, thus including…
Dispersion corrected density functional theory ($\omega$B97X-D DFT) method is used to study the molecular hydrogen adsorption in $Ni_nMg_m$ $(1\geq n\geq 3,1\geq m\geq9)$ clusters. All these clusters can effectively adsorb multiple $H_2$ in…
The optical absorption spectrum of the three most stable isomers of the Ag11 system was calculated using the time-dependent density functional theory, with the generalized gradient approximation for the exchange and correlation potential,…
Reactivity of Aluminum Clusters has been found to exhibit size sensitive variations. This work is motivated by a recent report1 predicting higher reactivity of melted Aluminum clusters towards the N2 molecule as compared to the non-melted…
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…
A series of the cadmium selenide magic size clusters with the cores of Cd$_8$Se$_{13}$ terminated with H- and N-containing ligands are calculated at the DFT level with different functionals and ECP basis sets. The optimum functional was…
The optical and plasmonic properties of metal-dielectric nanoeggs were investigated in this study. Frequency dependencies of polarizability, absorption and scattering cross-sections, and radiation efficiency were determined. Expressions…
The cross section of light absorption by semiconductor quantum dots in the case of the resonance with excitons $\Gamma_6 \times \Gamma_7$ in cubical crystals $T_d$ is calculated. It is shown that an interference of stimulating and induced…
By applying a genetic algorithm in a cascade approach of increasing accuracy, we calculate the composition and structure of MgMOx clusters at realistic temperatures and oxygen pressures. The stable and metastable systems are identified by…
The plasmonic properties of sphere-like bcc Na nanoclusters ranging from Na$_{15}$ to Na$_{331}$ have been studied by real-time time-dependent local density approximation calculations. The optical absorption spectrum, density response…
We present the first calculations of ab initio nonlocal optical potentials for $^{24,26,28}$Mg and $^{32}$Mg isotopes using the leading-order term of the spectator expansion of multiple-scattering theory. We use the structure input from the…
We review the recent progress made in the computation of electromagnetic response functions in light and medium-mass nuclei using coupled-cluster theory. We show how a many-body formulation of the Lorentz integral transform method allows to…
The collective electronic excitation in planar sodium clusters is studied by time-dependent density functional theory calculations. The formation and development of the resonances in photoabsorption spectra are investigated in terms of the…
We present a method for the measurement of small optical absorption coefficients. The method exploits the deformation of cavity Airy peaks that occur if the cavity contains an absorbing material with a non-zero thermo-refractive coefficient…