论文部分内容阅读
The total inteal partition sums were calculated in the product approximation at temperatures up to 5000 K for the asymptotic asymmetric-top HO2 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 inteal 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 υ2 band of HO2 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 u2 band of the asymptotic asymmetric-top HO2 molecule at 4000 and 5000K are also obtained.