摘要
自70年代起,Handy等,用变分法计算了H_(2)、SO_(2)等分子的振动-转动光谱,所得结果与实验吻合。但因在于计算久期行列式元素的积分,其计算方法不易推广。本文报道我们用Huber的升降算符法研究臭氧和甲醛分子振-转光谱的结果。
One program has been developed for the variational calculation of vib-rationrotational energy levels of non-linear polyatomic molecules. The elements of the secular equation are computated by Huber’s Ladder operator method. With this program the vibration-rotational spectra of Ozone and Formaldehyde have been calculated. Good agreement between the theoretical and exerimental results is obtained.
作者
田安民
刘瑞峰
周学锋
孙泽民
鄢国森
Tian Anmin;Liu Ruifeng;Zhou Xuefeng;Sun Zemin;Yan Guosen(Department of Chemistry,Shandong University,Jinan)
出处
《高等学校化学学报》
SCIE
EI
CAS
1988年第8期836-837,共2页
Chemical Journal of Chinese Universities
基金
国家自然科学基金。
关键词
阶梯算符
振动-转动光谱
臭氧
甲醛
Ladder operator
vibration-rotational spectra
Ozone
Formaldehyde
