Carbon quantum dots (CQDs) serve as a new class of ‘zero dimensional’ nanomaterial’s in thecarbon class with sizes below 10 nm. As light emitting nanocrystals, QDs are assembled from semiconductormaterials, from the elements in the periodic groups of II-VI, III-V or IV-VI, mainly thanks to impacts of quantum confinement QDs have unique optical properties such as brighter, highly pho...

The Lennard-Jones (LJ) Potential Energy Problem is to construct the most stable form of N atoms of a molecule with the minimal LJ potential energy. This problem has a simple mathematical form

In the paper " Conditionally exactly soluble class of quantum potentials " by A.

We report six-dimensional quantum dynamical calculations of dissociative adsorption and associative desorption of the system H2/Pd(100) using an ab initio potential energy surface. We focus on rotational effects in the steering mechanism, which is responsible for the initial decrease of the sticking probability with kinetic energy. In addition, steric effects are briefly discussed. Typeset usin...

In this study, the drug atenolol on C60 fullerene were the drug and its derivatives were optimized fullerene. NBO and NMR for complex computations required in the HF/6-31G (d) and B3LYP/6-31G (d) quantum chemistry method was used. Mechanical quantum calculations in theory level of B3LYP/6-31G were performed on structure of atenolol and nano fullerene atenolol with different positions...

In this paper, using the tight-binding model, we extend the real-space renormalization group method to time-dependent Hamiltonians. We drive the time-dependent recursion relations for the renormalized tight-binding Hamiltonian by decimating selective sites of lattice iteratively. The formalism is then used for the calculation of the local density of electronic states for a one dimensional quant...

In this paper, we present calculations for different parameters of quantum dot infrared photodetectors. We considered a structure which includes quantum dots with large conduction-band-offset materials (GaN/AlGaN). Single band effective mass approximation has been applied in order to calculate the electronic structure. Throughout the modeling, we tried to consider the limiting factors which dec...