A universal potential energy function and precise calculations on the molecular spectra
- Author:
Changfeng YU
;
Kun YAN
;
Daizhi LIU
- Publication Type:Journal Article
- Keywords:
universal potential energy function;
force constant;
spectroscopic parameter
- From:
Journal of Pharmaceutical Analysis
2008;20(1):61-65
- CountryChina
- Language:Chinese
-
Abstract:
By using a function with a phase factor, a universal analytic potential energy function applied to the interactions between diatoms or molecules is derived and six kinds of potential curves of common shapes are obtained by adjusting the phase factor. The spectroscopic parameters of ten diatomic molecules are calculated by using the potential energy function; as a consequence, all calculation results are in good agreement with experimental data.
