化学学报 ›› 1990, Vol. 48 ›› Issue (5): 419-423.    下一篇

研究论文

NaNaK体系的分析势能函数

田之悦;徐宗英   

  1. 华西医科大学药学院
  • 发布日期:1990-05-15

The analytic potential energy function for NaNaK systme

TIAN ZHIYUE;XU ZONGYING   

  • Published:1990-05-15

应用简化的多体项展式法, 导出了NaNaK体系的分析势能函数, 考察了势能面的主要特征, 结果是合理的。

关键词: 钠, 钾, 势能, 从头计算法, 数, 分子碰撞, 势能面

The anal. potential energy function for NaNaK system has been derived using the simplified method of many-body terms expansion. The general features of the potential energy surfaces are reasonable.

Key words: SODIUM, POTASSIUM, POTENTIAL ENERGY, AB INITIO CALCULATION, NUMBERS, MOLECULE COLLISIONS, POTENTIAL ENERGY SURFACES

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