| 调用绘图软件系统实现波函数等值线图的绘制 |
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| 引用本文： | 廖孟生,高剑南,潘道.调用绘图软件系统实现波函数等值线图的绘制[J].江西师范大学学报(自然科学版),1988(1). |
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| 作者姓名： | 廖孟生 高剑南 潘道 |
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| 作者单位： | 江西师范大学化学系,华东师范大学化学系,华东师范大学化学系 |
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| 摘 要： | 作者采用调用绘图软件包的方法,在微机上进行了等值线绘图程序(EQNUP)设计。该程序可直接与从头计算配套使用,也可单独用来绘制各类原子轨道,分子轨道和轨道电子云密度截面等值图。程序具有使用方便灵活、运行速度快等特点,用户使用后效果良好。
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| 关 键 词： | 等值线图 |
A Microcomputer Program for Plotting Cross-Sectional Contour of Wave-Functions or Densities |
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| Liao Mengsheng Gao jiannan Pan Daokai.A Microcomputer Program for Plotting Cross-Sectional Contour of Wave-Functions or Densities[J].Journal of Jiangxi Normal University (Natural Sciences Edition),1988(1). |
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| Authors: | Liao Mengsheng Gao jiannan Pan Daokai |
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| Institution: | Liao Mengsheng Gao jiannan Pan Daokai |
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| Abstract: | A program has been written on a microcomprter using a pictorial software packer.The program can be directly used with the results of"abinitio" of guantum chemical calculations to plot cross-sectional contour of various atomic or molecular orbitals or their electron-densities.It is characterized by convenience for users, flexibility and high speed.Mang users have achieved good contours when they used it. |
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| Keywords: | cross-sectional contour |
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