摘要
In this paper, we analyse the classifications of critical points on PES with differential dynamics methods, poin out that there are only three types of critical points:attracors, repelants and saddle points; and obtain the conditions of PES topological structures losing their stability （TSLS）. Finally, we obtain the conditions of TSLS and bifurcations of reactive paths on A+B2 reactive potential energy surface.
In this paper, we analyse the classifications of critical points on PES with differential dynamics methods, poin out that there are only three types of critical points:attracors, repelants and saddle points; and obtain the conditions of PES topological structures losing their stability (TSLS). Finally, we obtain the conditions of TSLS and bifurcations of reactive paths on A+B_2 reactive potential energy surface.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
1995年第3期247-251,共5页
Acta Physico-Chimica Sinica
关键词
势能面
拓扑结构失稳
反应途径
分叉
Potential energy surface, Topological structures losing stability,Bifurcation of reactive paths
