Ultraviolet and Infrared absorption by the Ozone molecule

臭氧分子吸收紫外线和红外线

• 批准号: 2067155
• 金额: --
• 依托单位: University College London
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2018
• 资助国家: 英国
• 起止时间: 2018 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2067155
• 关键词: Ultraviolet; Infrared; absorption; Ozone; molecule

State of the art, first principles quantum mechanical methods will be used to computehigh accuracy transition intensities, for both the infrared (IR) and ultraviolet (UV)regions of the spectrum of ozone. For the infrared region, existing methodology ofcomputing high accuracy dipole moment surfaces will be employed. These methodshave already been used successfully for water and CO2 to calculate high accuracytransition intensities. Complete line lists will be obtained by combining accurateintensities with measured transition frequencies. New methodologies will bedeveloped and implemented in computer programs to compute intensities forelectronic transitions in the UV region. The results of this study will be important for arange of atmospheric studies, such as self-consistency of ozone concentrationretrievals in remote sensing techniques, and possible detections of ozone in exoplanetaryatmospheres. The distribution of ozone line lists will involve making themavailable online on databases, such as HITRAN and ExoMol, dedicated to thecompilation of spectroscopic parameters. HITRAN is the standard for such datacompilations for atmospheric studies and will be independently evaluating the resultsof this study.

最先进的第一原理量子力学方法将用于计算臭氧光谱的红外（IR）和紫外（UV）区域的高精度跃迁强度。对于红外区域，将采用现有的计算高精度偶极矩曲面的方法。这些方法已成功地用于水和CO2的高精度跃迁强度计算。完整的谱线列表将通过结合精确的强度和测量的跃迁频率来获得。新的方法将被开发和实施的计算机程序来计算强度forelectronictransitions在紫外区。这项研究的结果将是重要的一系列大气研究，如臭氧浓度的自洽性遥感技术反演，并可能探测到的臭氧在explanaryatmosphere。臭氧谱线清单的分发将涉及在HITRAN和ExoMol等数据库上在线提供这些清单，这些数据库专门用于光谱参数的汇编。HITRAN是大气研究中此类计算机编译的标准，并将独立评估本研究的结果。