In order to study the variation of electronic properties, a set of bithiophene derivatives has been ‎developed. Here, the effect of substitution on the aromaticity properties of some cyclic ‎bithiophene derivative compounds was investigated using theoretical calculations. Calculations ‎were performed at B3LYP/6-31+G (d,p) level; and calculated properties included energy, dipole ‎moment, total c...

We investigate the polarizability of trimetallic nitride endohedral fullerenes by partitioning the total polarizability into site specific components. This analysis indicates that the polarizability of the endohedral fullerene is essentially due to the outer fullerene cage and has insignificant contribution from the encapsulated unit. Thus, the outer fullerene cages effectively shield the encap...

In 1999, F.A.B. Coutinho, Y.Nogami and Lauro Tomio published a paper entitled “Two definitions of the electric polarizability of a bound system in relativistic quantum theory”. The authors of ref.(1), dicussed the possibility of two definitions of the relativistic electric polarizability and the difference between the two definitions. In addition, the authors relate their definitions to the ele...

The polarizability of a nanostructure is an important parameter that determines the optical properties. An exact semi-analytical solution of the electrostatic polarizability of a general geometry consisting of two segments forming a cylinder that can be arbitrarily buried in a substrate is derived using bipolar coordinates, cosine-, and sine-transformations. Based on the presented expressions, ...

Polarizability is a key molecular property controlling induction and dispersion forces in molecules, and atomic polarizabilities in molecules are widely used elements both in qualitative schemes for understanding molecular interactions and in quantitative methods for modeling them. Unfortunately, experimental probes of local polarizability are not readily available. Here we predict the polariza...

A simple relation between the optical electronegativity, energy gap, refractive index and electronic polarizability is given for ternary chalcopyrite semiconductors. Energy gap has been evaluated from the optical electronegativity whereas refractive index and electronic polarizability values have been evaluated from the energy gap by proposing a linear relation between them. The calculated valu...

Radiative corrections to the polarizability tensor of isotropic particles are fundamental to understand the energy balance between absorption and scattering processes. Equivalent radiative corrections for anisotropic particles are not well known. Assuming that the polarization within the particle is uniform, we derived a closed-form expression for the polarizability tensor which includes radiat...

We report hyperfine-resolved scalar polarizabilities for cesium’s 8s S1/2 and 9s S1/2 states using resonant two-photon spectroscopy in both an effusive beam and a vapor cell. Electric-field strengths are measured in situ, and the frequency scale is directly referenced to the ground-state hyperfine splitting of atomic rubidium. The measured 8s S1/2 scalar polarizability is 38 370± 380a 0 , which...

The static polarizability of the 1s, 2p, and 3d states of the hydrogen atom has been calculated using the B-splines basis set method, and the portion of the polarizability without poles has been calculated using the B-splines Galerkin method. Excellent agreement with exact values has been obtained. The current algorithm improves the efficiency and accuracy over the finite perturbation method. I...