CAJ | 학술논문

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)行列式等比较深入的数学物理问题.
문장간요설명여하응용계산궤삼유중구기술，이MATLAB위개발공구연제성일개양자역학가시화적교학연건포중적일개중요조성부분——경원자화다전자계통전자운、각층결구화분자공개건적삼유중구.연건중소유형상표술도이양자역학적엄격이론계산위기출，병차주의도양자역학불동심상적기본개념적관철.타문섭급도료단전자화다전자계통파함수적계산급기근사처리、밀도구진적개념、사래특(Slater)행렬식등비교심입적수학물리문제.
Computerized 3-dimensional reconstruction has been used tovisnalize 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.