| 三原子分子振转激发态成簇现象理论研究 |
| |
| 引用本文： | 谢军楷,谢代前,田安民,鄢国森.三原子分子振转激发态成簇现象理论研究[J].化学学报,1996,54(3):261-265. |
| |
| 作者姓名： | 谢军楷 谢代前 田安民 鄢国森 |
| |
| 作者单位： | 四川大学化学系 |
| |
| 摘 要： | 在只考虑弯曲振动与总角动量的耦合，而冻结伸缩振动的模型下，采用Jacobi多项式作为弯曲振动的基函数，用严格的变分法研究了H~2O分子的振转激发态的成簇现象。本文计算了H~2O分子的振转能级和函数，研究了振动激发态下转动高激发态中出现的成簇态。
|
| 关 键 词： | 函数 量子力学 变分法 三原子分子 水分子 国家教委高等学校博士学科点专项科研基金 振转激发态 临界态 成簇现象 振转能级 |
Theoritical studies of clustering rovibrational energy levels in the highly excited H~2O molecule |
| |
| XIE JUNKAI,XIE DAIQIAN,TIAN ANMIN,YAN GUOSEN.Theoritical studies of clustering rovibrational energy levels in the highly excited H~2O molecule[J].Acta Chimica Sinica,1996,54(3):261-265. |
| |
| Authors: | XIE JUNKAI XIE DAIQIAN TIAN ANMIN YAN GUOSEN |
| |
| Abstract: | The clustering of rovibrational energy levels in the highly excited H~2O molecule has been investigated by using a variational procedure and the bending-rotation Hamiltion in which the radial cooridates are fixed to their equilibrium values. This clustring effects begins with thecritical value of total angular momentum J~c, which for H~2O is 26. The appearance of four-fold clusters of energy levels as consequence of molecular geometry stabilization is predicted. This clustering structure has not been brokendown in the excited vibrational states. |
| |
| Keywords: | FUNCTION QUANTUM MECHANICS VARIATIONAL METHOD TRIATOMIC MOLECULE CRITICAL STATE |
| 本文献已被 维普 等数据库收录！ |
| 点击此处可从《化学学报》浏览原始摘要信息 |
| 点击此处可从《化学学报》下载免费的PDF全文 |
