摘要
文章简要说明如何应用计算机三维重构技术 ,以MATLAB为开发工具研制成一个量子力学可视化的教学软件包中的一个重要组成部分———氢原子和多电子系统电子云、壳层结构和分子共价键的三维重构 .软件中所有形象表述都以量子力学的严格理论计算为基础 ,并且注意到量子力学不同寻常的基本概念的贯彻 .它们涉及到了单电子和多电子系统波函数的计算及其近似处理、密度矩阵的概念、斯莱特 (Slater)
Computerized 3\|dimensional reconstruction has been used to visualize quantum mechanics, particularly to realize 3\|dimensional reconstructions of the electron cloud, shell structures of hydrogen and multi\|electron atoms, and the covalent bonds of molecules. All this has based on exact theoretical calculations of quantum mechanics, and involved the calculation of the wave functions of single electron and multi\|electron systems and their approximation methods, the density matrix concept, the Slater determinant wave function etc were involved.
出处
《物理》
CAS
北大核心
2001年第4期241-246,共6页
Physics
基金
教育部<量子力学>名牌课程项目
