Spectroscopic energy coefficients for vibration-rotational states of dinuclear molecules
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资源简介：
Title of program: YDY84C
Catalogue Id: ACET_v1_0
Nature of problem
The spectroscopic energy coefficients Ykl and their derivatives with respect to the parameters are calculated from a known set of the parameters: coefficients cj (1<j<10) in the potential-energy function, and harmonic vibrational omega e, and rotational Be, quantities.
Versions of this program held in the CPC repository in Mendeley Data
ACET_v1_0; YDY84C; 10.1016/0010-4655(83)90127-3
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
程序名称：YDY84C
目录编号：ACET_v1_0
问题本质
基于已知的参数集合，计算光谱能量系数Y<sub>kl</sub>及其对各参数的偏导数；所需参数包括势能函数中的系数c<sub>j</sub>（1<j<10）、简谐振动频率ω<sub>e</sub>与转动常数B<sub>e</sub>。
收录于Mendeley Data的CPC程序库中的本程序版本信息：
ACET_v1_0; YDY84C; 10.1016/0010-4655(83)90127-3
本程序源自贝尔法斯特女王大学所持有的CPC程序库（1969-2019年）。
创建时间：
2019-12-18
