The Number Of Physical Particles System Of Mathematical Model And Numerical Simulation

The object particle means to the microcosmic particle that its static mass is not zero ,for example, electron atom molecule and so on. Calculation to the molecular structure parameters and the atomic spectroscopic terms, and Simulation to the action of the object particles contributes to researching this system and understanding their rule of motion thoroughly.In this research , a mathematic model is built for coverting internal coordinates into rectangular coordinates and calculating nucleus distances, bond angles and bihedral angles in a molecule. The Monte Carlo method is used to electronic distribution in electron cloud and electron diffraction. The distribution graphes of the electron cloud in atom and molecule are drawn and the phenomenon of the electron diffraction from a single slit or a small aperture is simulated vividly. In addition, the systematic method for deducing the atomic spectroscopic terms of a random electron configuration in L-S or J-J coupling is found.The programs are developed on the basis of mathematic model. The main developmental tool is Visual Basic 6.0. The programs are developed and run in Windows 98 on the Pentium PC. The program structure is fine. They can simulate the phenomenon vividly. The calculation results are accurate with use of programs.The research for the object particle is simplified and facilitated in certain degrees and the cognition for rule of their motion is deepened by way of the mathematic model and numerical simulation for the object particle system. It has higher application value .