典型文献
Theoretical study on the transition properties of AlF
文献摘要：
Potential energy curves of the X1∑+and A1П states of the A1F molecule are studied through the combination of the multi-reference configuration interaction(MRCI)approach and Davidson corrections(MRCI+Q).The AWCV5Z basis set is employed in the calculations.The transition dipole moments(TDMs)of the A1П?X1∑+transition are explored based on the AWCV5Z basis set and(4,2,2,0)active space.The Schr?dinger equation is solved via the LEVEL 8.2 program,and the vibrational levels and rotational constants of the X1∑+and A1П states are calculated.It is shown that the A1F molecule has high diagonal Franck-Condon factors(f00=0.9949 and f11=0.9854)and large Einstein coefficients for the transition of A1П(v'=0)?X1∑+(v"=0).In addition,the radiative lifetimes of the vibrational levels are close to 10-9 s for the A 1П state.The line intensities of the A1П(v'=4-15)? X1∑+(v"=0)transitions are also calculated.The calculated TDMs and transition probabilities in this work are credible and provide some guidance for the study of similar transitions,particularly for exploring interstellar space.
文献关键词：
中图分类号：
作者姓名：
Yun-Guang Zhang;Ling-Ling Ji;Ru Cai;Cong-Ying Zhang;Jian-Gang Xu
作者机构：
School of Science,Xi'an University of Posts and Telecommunications,Xi'an 710121,China
文献出处：
引用格式：
[1]Yun-Guang Zhang;Ling-Ling Ji;Ru Cai;Cong-Ying Zhang;Jian-Gang Xu-.Theoretical study on the transition properties of AlF)[J].中国物理B（英文版）,2022(05):263-269
A类：
A1F,AWCV5Z,+transition
B类：
Theoretical,study,properties,AlF,Potential,energy,curves,X1,+and,states,molecule,are,studied,through,combination,multi,reference,configuration,interaction,approach,Davidson,corrections,MRCI+Q,basis,set,employed,calculations,dipole,moments,TDMs,explored,active,space,Schr,dinger,equation,solved,via,LEVEL,program,vibrational,levels,rotational,constants,calculated,It,shown,that,has,high,diagonal,Franck,Condon,factors,f00,f11,large,Einstein,coefficients,In,addition,radiative,lifetimes,close,line,intensities,transitions,also,probabilities,this,work,credible,provide,some,guidance,similar,particularly,exploring,interstellar
AB值：
0.568645
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