%A Wu Dong-Lan, Zeng Xue-Feng, Xie An-Dong, Wan Hui-Jun
%T Study on high-temperature spectra of asymptotic asymmetric-top radical SiO_{2}
%0 Journal Article
%D 2010
%J Chin. Phys. B
%R 10.1088/1674-1056/19/4/043301
%P 43301-043301
%V 19
%N 4
%U {http://cpb.iphy.ac.cn/CN/abstract/article_24928.shtml}
%8 2010-04-15
%X Total internal partition sums are calculated in the
product approximation at temperatures up to 6000~K for the
asymptotic asymmetric-top SiO_{2} molecule. The rotational
partition function and the vibrational partition function are
calculated with the rigid-top model and in the harmonic oscillator
approximation, respectively. Our values of the total internal
partition sums are consistent with the calculated value in the
Gaussian program within $-0.137$% at 296~K. Using the calculated
partition functions and the rotationless transition dipole moment
squared as a constant, we calculate the line intensities of 001--000
band of SiO_{2} at normal, medium and high temperatures.
Simulated spectra of the 001--000 band of the asymptotic asymmetric-top
SiO_{2} molecule at 2000, 5000 and 6000~K are also obtained.