采用乘积近似法计算了氧化亚氮分子的总配分函数,其中转动配分函数考虑了离心扭曲修正,振动配分函数采用谐振子近似。利用计算所得的配分函数和实验振动跃迁矩平方及Herman-Wallis因子系数,计算了氧化亚氮3000-0200和1001-0110跃迁带在常温和高温下的线强度。结果显示,当温度高达3000K时,计算所得线强度与实验值及HITRAN数据库提供的结果仍符合较好。这表明高温下的分子配分函数和线强度的计算是可靠的,还进一步计算了氧化亚氮3000-0200和1001-0110跃迁带在更高温度(4000和5000K)下的线强度及模拟光谱。
The total internal partition sums (TIPS) were calculated for nitrous oxide with the product approximation.For rotational partition sums Qrot,the centrifugal distortion corrections are under consideration.The calculation method for the vibrational partition sums Qvib used is the harmonic oscillator approximation.Using experimental transition moment squared and Herman-Waills factor coefficients and the calculated partition functions,we computed the line intensities of 3000-0200 and 1001-0110 transitions of nitrous oxide at several temperatures.The agreement between the calculated line intensities and experimental results and those extrapolated from HITRAN database is fairly good at temperatures up to 3000 K,which shows that the calculation of partition function and line intensity at high temperature is reliable.Furthermore, the line intensities and spectral simulations atthe higher temperatures of 4000 and 5000 K are also presented.