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H2CO 000010-000000和100000-000000跃迁带在高温下线强度的理论计算
引用本文:杜晓峰,程新路,吕宜超.H2CO 000010-000000和100000-000000跃迁带在高温下线强度的理论计算[J].大气与环境光学学报,2008,3(4):276-281.
作者姓名:杜晓峰  程新路  吕宜超
作者单位:四川学原子与分子物理研究所,四川,成都,610065;四川学原子与分子物理研究所,四川,成都,610065;四川学原子与分子物理研究所,四川,成都,610065
摘    要:用Fortran90自编程序计算了甲醛(H2CO)分子的总的配分函数,同时也计算了H2CO分子000010-000000和100000-000000跃迁带在296~3000 K下的线强度.将计算结果与HITRAN数据库提供的结果进行了比较,得出:在296~3000 K两者数据符合很好,这表明高温下分子配分函数和线强度的计算是可靠的,由于3000 K以上H2CO分子的相关光谱数据不容易从实验获得,在理论上模拟了H2CO在高温条件(4000 K)下的线强度和模拟光谱.

关 键 词:H2CO  配分函数  线强度  高温
收稿时间:2007/9/20

Theoretical Calculation of Line Intensities of 000010-000000 and 100000-000000 Transition Bands of Formaldehyde at High Temperature
DU Xiao-feng,CHENG Xin-Lu,L Yi-chao.Theoretical Calculation of Line Intensities of 000010-000000 and 100000-000000 Transition Bands of Formaldehyde at High Temperature[J].Journal of Atmospheric and Environmental Optics,2008,3(4):276-281.
Authors:DU Xiao-feng  CHENG Xin-Lu  L Yi-chao
Institution:DU Xiao-feng CHENG Xin-Lu LU Yi-chao (Institute of Atomic , Molecular Physics,Sichuan University,Chengdu 610065,China)
Abstract:The total internal partition sums of formaldehyde were calculated by Fortran90 program.At the same time the line intensities of 000010-000000 and 100000-000000 transition bands of formaldehyde at several temperatures ranging from 296 to 3000 K were computed.Results showed that at this temperature range the agreement between the calculated line intensities and those extrapolated from HITRAN database is fairly good,which provides a strong support for the calculations of partition function and line intensity a...
Keywords:formaldehyde  partition sums  line intensities  high temperature  
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