为了确定和描述平面五和六员环分子的几何,本文提出键长采用对应的标准键长,环键角用多重黄金分割技巧优化到该键角与对应的标准键角间的残差平方和最小。用该法计算了呋喃、吡咯和香豆素的环内键角,计算结果与实验值很接近。 In order to determine and describe the geometry of planar five- and six-membered ring molecules, we propose that the bond length should be the corresponding standard bond length, and the ring bond angle should be optimized to the sum of squared residuals of the bond angle and the corresponding standard bond angle using multiple golden sectioning techniques Min. By using this method, the intra-ring bond angles of furan, pyrrole and coumarin were calculated, and the calculated results are close to the experimental ones.