Line intensities of the asymptotic asymmetric-top radical HO2 at high temperatures
Song Xiao-Shu(宋晓书)a)b), Cheng Xin-Lu(程新路)b), Yang Xiang-Dong(杨向东)b)†, Linghu Rong-Feng(令狐荣锋)a), and Lv Bing(吕兵)a)
aSchool of Physics and Chemistry, Guizhou Normal University, Guiyang 550001, China; b Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
Abstract The total internal partition sums were calculated in the product approximation at temperatures up to 5000\,K for the asymptotic asymmetric-top HO$_{2}$ molecule. The calculations of the rotational partition function and the vibrational partition function were carried out with the rigid-top model and in the harmonic oscillator approximation, respectively. Our values of the total internal partition sums are consistent with the data of HITRAN database with $-$0.14% at 296 K. Using the calculated partition functions, we have calculated the line intensities of $\nu _{2}$ band of HO$_{2}$ at several high temperatures. The results showed that the calculated line intensities are in very good agreement with those of HITRAN database at temperatures up to 3000 K, which provides a strong support for the calculations of partition functions and line intensities at high temperatures. Then we have extended the calculation to higher temperatures. The simulated spectra of $\nu_{2}$ band of the asymptotic asymmetric-top HO$_{2}$ molecule at 4000 and 5000 K are also obtained.
Received: 11 February 2007
Accepted manuscript online:
(Calculations and mathematical techniques in atomic and molecular physics)
Fund: Project supported by the Major
Program for Basic Research of National Security, China (Grant No
5134202-04), by the National Natural Science Foundation of China
(Grant No 10574096), and the Natural Science Foundation of the
Bureau of Education of Guizhou
Cite this article:
Song Xiao-Shu(宋晓书), Cheng Xin-Lu(程新路), Yang Xiang-Dong(杨向东), Linghu Rong-Feng(令狐荣锋), and Lv Bing(吕兵) Line intensities of the asymptotic asymmetric-top radical HO2 at high temperatures 2008 Chin. Phys. B 17 158
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
