Abstract

Dunham type parameters obtained from global processing of experimental vibrational–rotational and rotational transition frequencies of ¹⁴N¹⁶O and ¹⁶OH molecules are used for constructing RKR curves of potential energy. Pointwise defined potentials are approximated by expansions in the variable \({{z}_{S}} = (r - {{r}_{e}}){\text{/}}r\). Potential energy functions of the abovementioned molecules are calculated nonempirically using the Molpro software. The obtained results are compared with literature data.

中文翻译：

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14 N 16 O和16 OH分子在电子基态下的RKR势

摘要

从¹⁴ N ¹⁶ O和¹⁶ OH分子的振动-旋转和旋转跃迁频率的整体处理中获得的Dunham型参数用于构建势能的RKR曲线。按点定义的电势通过变量\（{{z} _ {S}} =（r-{{r} _ {e}}）{\ text {/}} r \）的扩展来近似。使用Molpro软件非经验地计算上述分子的势能函数。将获得的结果与文献数据进行比较。