摘要
本文用一种新的方法求解A+BC体系的转动非弹性散射问题,即在径向耦合方程的势能耦合项中只取对角项,并用Morse势拟合Lennard-Jones势,从而可得去耦合径向方程的两个解集。渐近分析表明,此两个解集分别相应于入射波和出射波。将总波函数按总角动量的本征函数展开,展开系数为常数乘以上述得到的径向函数。再将总波函数代入Schrdinger方程,则可得到散射矩阵。计算结果表明,本法比IOS法更接近CC法,但计算量比后者少得多,且方法严谨。
In this paper, we propose a new method to deal with the rotationally inelastic scattering of the A+BC collison system. We neglect the off-diagonal elements in the coupled potential terms and fit the Morse potential to the Lennard-Jones potential by making them being equal to each' other at the zero and deepest points. Then we can obtain the two analytical solutions of the decoupled equations. Asymptotic analysis shows that they correspond to the incident and outgoing waves, respectively. The overall wavefunction is expanded by the two solutions. The S-matrix can be obtained by solving the linear equations. The results obtained from this method prove to be better than those from IOS compared with the exact CC results.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1993年第5期691-695,共5页
Chemical Journal of Chinese Universities
基金
国家自然科学基金
关键词
转动
非弹性散射
氩
氟化钛
Rotationally inelastic scattering, Lennard-Jones potential, Morse potential, Scattering matrix
