典型文献
A new global potential energy surface of the ground state of SiH2+(X2A1)system and dynamics calculations of the Si++H2(v0 = 2,j0 = 0)→ SiH++H reaction
文献摘要：
A global potential energy surface(PES)of the ground state of SiH2+system is built by using neural network method based on 18223 ab initio points.The topographic properties of PES are presented and compared with previous theoretical and experimental studies.The results indicate that the spectroscopic parameters obtained from the new PES are in good agreement with the experimental data.In order to further verify the validity of the new PES,a test dynamics calculation of the Si++H2(v0 = 2,j0 = 0)→ H+SiH+reaction has been carried out by using the time-dependent wave packet method.The integral cross sections and rate constants are computed for the title reaction.The reasonable dynamical behavior indicates that the newly constructed PES is suitable for relevant dynamics investigations.
文献关键词：
中图分类号：
作者姓名：
Yong Zhang;Xiugang Guo;Haigang Yang
作者机构：
Department of Physics,Tonghua Normal University,Tonghua 134002,China;Wei fang University of Science and Technology,Shouguang 262700,China
文献出处：
引用格式：
[1]Yong Zhang;Xiugang Guo;Haigang Yang-.A new global potential energy surface of the ground state of SiH2+(X2A1)system and dynamics calculations of the Si++H2(v0 = 2,j0 = 0)→ SiH++H reaction)[J].中国物理B（英文版）,2022(11):333-338
A类：
SiH2+,X2A1,Si++H2,SiH++H,SiH2+system,H+SiH+reaction
B类：
global,potential,energy,surface,ground,state,dynamics,calculations,v0,j0,PES,is,built,by,using,neural,network,method,initio,points,topographic,properties,presented,compared,previous,theoretical,experimental,studies,results,that,spectroscopic,parameters,obtained,from,good,agreement,data,In,order,further,verify,validity,test,has,been,carried,out,dependent,wave,packet,integral,cross,sections,rate,constants,computed,title,reasonable,dynamical,behavior,indicates,newly,constructed,suitable,relevant,investigations
AB值：
0.508072
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