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用Origin 6.0绘制波函数立体图形
引用本文:张建华,苏育志,宋建华,郭海燕.用Origin 6.0绘制波函数立体图形[J].计算机与应用化学,2003,20(5):627-630.
作者姓名:张建华  苏育志  宋建华  郭海燕
作者单位:广州大学生物与化学工程学院化学系,广东,广州,510405
摘    要:Origin6.0作为一个数学软件平台,具有数据管理与分析、二维及三维函数和离散数据绘图、程序开发等多种功能,广泛用于工程设计和科学研究。本文利用Origin6.0软件的三维函数绘图功能,绘制势箱波函数、氢原子轨道、及其电子云密度函数的立体图形、等值线图和等密度线图。详细给出了各类绘图函数的程序可读化形式、图形及操作过程。该绘图方法操作界面更友好,适用于一般化学化工过程中的三维解析函数可视化。

关 键 词:Origin6.0软件  绘制软件  波函数  立体图形  三维图形  原子  分子轨道  电子云密度函数
文章编号:1001-4160(2003)05-627-630
修稿时间:2002年12月21

Three dimensional graphs of the wave functions in Origin 6.0
ZHANG Jian-Hua,SU Yu-Zhi,SONG Jian-Hua,QUO Hai-Yan.Three dimensional graphs of the wave functions in Origin 6.0[J].Computers and Applied Chemistry,2003,20(5):627-630.
Authors:ZHANG Jian-Hua  SU Yu-Zhi  SONG Jian-Hua  QUO Hai-Yan
Abstract:Origin 6.0 is a mathematical software system and is widely used for various purposes such as data analysis and management, two and three dimensional function and scatter data plotting, and program development in scientific research and engineering calculation. Three dimensional graphs and contours of wave functions and probability densities for particle in a three dimensional box and the hydrogen-atom are made by the 3D-function-plotting in Origin 6.0 on PC in this paper. The software readable expressions of various wave functions mentioned above and plotting operation procedure are given here. The 3d-function-plotting method is provided with more friendly operation interface in comparison with other software and applies to visualization of analytical functions in the process of chemical engineering.
Keywords:wave functionsi  origin software  computer 3D-function plotting  
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