Influence of the intramolecular interactions on intermolecular potential matrix elements

被引：1
|
作者：
Stroinova, VN [1 ]
Tyurin, YI [1 ]
Bykov, AD [1 ]
Mikhailov, VM [1 ]
机构：
[1] Tomsk Polytech Univ, Tomsk, Russia
来源：
14TH SYMPOSIUM ON HIGH-RESOLUTION MOLECULAR SPECTROSCOPY | 2004年 / 5311卷
关键词：
theory of linked schemes; contact transformations; Pade approximant; vibrational anharmonism; Lennard-Jones potential;
D O I：
10.1117/12.545679
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
General analytical expressions for non-diagonal matrix elements of intermolecular potential operator are found using the theory of linked ordering schemes (1) for ro-vibrational interactions. Non-diagonal matrix elements corresponds the long range electrostatic interactions in the system H2O-H-2. Earlier the diagonal matrix elements of intermolecular potential operator were obtained. It is calculated the influence of the vibrational anharmonism on the non-diagonal matrix elements of intermolecular potential does not exceed 12%.
引用
收藏
页码：229 / 233
页数：5
相关论文
共 50 条
12345