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本文报导了作者编制的分子波函数绘图程序,利用该程序,可绘制各类原子轨道、分子轨道及轨道电子密度等值面投影图,文中给出了简单示例。
This paper reports the molecular wave function plotting program compiled by the author. With this program, we can draw the projection diagrams of isosurfaces of various atomic orbitals, molecular orbits and orbital densities. A simple example is given in this paper.