| 用升降算符法计算多原子分子振动-转动能级 |
| |
| 引用本文： | 田安民,刘瑞峰,周学锋,孙泽民,鄢国森.用升降算符法计算多原子分子振动-转动能级[J].高等学校化学学报,1988,9(8):836. |
| |
| 作者姓名： | 田安民 刘瑞峰 周学锋 孙泽民 鄢国森 |
| |
| 作者单位： | 四川大学化学系 |
| |
| 摘 要： | 自70年代起,Handy1]等,用变分法计算了H2、SO2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。
|
| 关 键 词： | 阶梯算符 振动-转动光谱 臭氧 甲醛 |
| 收稿时间： | 1988-01-07 |
Calculation of Vibration-Rotational Energy Levels for Polyatomic Molecules by Ladder Operator Method |
| |
| Tian Anmin,Liu Ruifeng,Zhou Xuefeng,Sun Zemin,Yan Guosen.Calculation of Vibration-Rotational Energy Levels for Polyatomic Molecules by Ladder Operator Method[J].Chemical Research In Chinese Universities,1988,9(8):836. |
| |
| Authors: | Tian Anmin Liu Ruifeng Zhou Xuefeng Sun Zemin Yan Guosen |
| |
| Institution: | Department of Chemistry, Shandong University, Jinan |
| |
| Abstract: | 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. |
| |
| Keywords: | Ladder operator vibration-rotational spectra Ozone Formaldehyde |
| 本文献已被 CNKI 等数据库收录！ |
| 点击此处可从《高等学校化学学报》浏览原始摘要信息 |
| 点击此处可从《高等学校化学学报》下载免费的PDF全文 |
|
