摘要
给出了求解原子-分子散射理论中耦合孔道方程组的一种混合方法,该法在强相互作用区域为Johnson的LOGD算法,在其余区域用参照势能具有V=-(A^2/16)+Be^(-AR)形式的势能追踪方法,并以Lester-Bernstein的刚性转子问题为例进行了验证。
A hybrid approach for solving the coupled channel equations in atom-molecule scattering theory is presented. This method combines the LOG-derivative(LOGD) integrator of Johnson at strong interaction region with a new potential-following method in which the reference potential has the form V=-A2/16 + Be(-AR) at the weak interaction region. The method has been tested on the rigid rotor problem of Lester-Bernstein.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1990年第12期1415-1418,共4页
Chemical Journal of Chinese Universities
基金
国家自然科学基金
关键词
非弹性散射
耦合孔道
LOGD算法
Inelastic scattering, Coupled channel, LOGD, Potential-following, Solution-following