PhD

Atoms and molecules are the fundamental constituents of materials and they are the main key that can open the door to understand the materials’ structures and dynamics. The goal of a computational atomic and molecular physics is to determine numerical solutions of approximate equations. All measurable properties of the atoms and molecules can be obtained by these solutions.In the present work, accurate treatments for both non-relativistic quantum mechanics and relativistic quantum mechanics have been presented.

In order to develop a effected method to reveal the presence of  explosive, numerous detection techniques have been studied that are capable of detecting explosives, The current study provides an overview of the present  techniques like LIBS which is an atomic spectroscopy, and examined  a new technique for detecting called laser induced fluorescence (LIF). LIF essentially measures the optical emission of the excited energetic materials by laser.

Lead-free piezoelectrics are non-toxic, cheap and environmental friendly materials. Among them Bismuth Sodium Titanate (BNT) which has the chemical formula Bi 0.5 Na 0.5 TiO  with a complex A-site perovskite structure. In this study, some modifications on BNT were used to help in applications by forming solid solution with Bi 3 0.5 K 0.5 TiO 3 (BKT) and BaTiO (BT). The BNTbased (xBNT-yBKT-zBT)