3D GL EM and Quantum Mechanical Coupled Modeling for the Nanometer Materials

Abstract

In this paper, we develop a 3D GL EM and quantum mechanical coupled modeling (GLEMQUAN) for studying nanometer materials. We accumulate the EM fleld energy, quantum energy, and interaction energy into Lagrangian energy in the nanometer material. The variation equation of the Lagrangian energy is the EM and quantum fleld coupled equations. We propose the GL modeling to solve the EM and quantum fleld coupled equations. The nanometer material is divided into set of sub-lattices. In the each lattice, the Global EM fleld and quantum wave function fleld are successively modifled by the local scattering EM and quantum fleld. When the whole lattice domain is scanned, the GL EM and quantum fleld solution is obtained. In the GLEMQUAN modeling, there is no big matrix needs to be solved. Also there are no artifl- cial boundary and no error re∞ection and error dispersion. The synthetic simulations show the GLEMQUAN modeling algorithm is fast, accurate, and very agile. The GLEMQUAN model- ing can be used to study optical materials, photosensitivity, photosynthesis, metallography and nanometer materials science and engineering. DOI: 10.2529/PIERS0060825193447