Analytical Potential Energy Function,Spectroscopic Constants and Vibrational Levels for A^1E_u^+ State of Dimer ~7Li_2
Analytical Potential Energy Function,Spectroscopic Constants and Vibrational Levels for A^1E_u^+ State of Dimer ~7Li_2作者机构：College of Physics & Information Engineering Henan Normal University Xinxiang 453007 China Department of Physics & Electron Science Luoyang Normal University Luoyang 471022 China
出 版 物：《Communications in Theoretical Physics》 (理论物理通讯（英文版）)
年 卷 期：2007年第48卷第12期
页 面：1081-1087页
核心收录：
学科分类：08[工学] 0827[工学-核科学与技术] 082701[工学-核能科学与工程]
主 题：analytic potential energy function harmonic frequency dissociation energy vibrational level classical turning point
摘 要：The symmetry-adapted-duster configuration-interaction method is used to investigate the spectroscopicproperties of ~7Li_2(A^1∑_u^+) over the internuclear distance ranging from 2.4ao to *** complete potential energycurves are calculated at numbers of basis *** the ab initio calculated points are fitted to the analytic MurrellSorbie function and then employed to compute the spectroscopic *** comparison,the spectroscopic constantsreproduced by the potential attained at D95(3df,3pd) are found to be very close to the experiments,a^d the values (T_e,D_e,R_e,ω_e,ω_eχ_e,α_e and B_e) are of 1.732 93 eV,1.161 36 eV,0.313 27 nm,251.95 cm^(-1),1.623 cm^(-1),0.005 35 cm^(-1),and0.490 cm^(-1),*** the potential obtained at D95(3df,3pd),the totally 75 vibrational states are found whenJ=*** vibrational levels,the classical turning points and the inertial rotation constants of the first 68 vibrationalstates are calculated for the first time and compared with the available *** agreement is *** centrifugal distortion constants of the first 32 vibrational states are also reported for the first *** reasonabledissociation limit for ~7Li_2(A^1∑_u^+) is deduced using the calculated results at present.
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