报告题目（Title）：Accurately Modelling Rovibronic Spectroscopy of Transition Metal Diatomics such as TiO for Astronomy Applications
报 告 人（Speaker）：Laura McKemmish，University of New South Wales
报告时间（Time）：2018年10月8日（周一） 14:00
报告地点（Place）：校本部E106
邀请人（inviter）：Jeffrey Reimers 教授
报告摘要（Abstract）：
In this talk, I will discuss a variety of the computational tools and methodologies used to produce this new line list, considering all available experimental data and high-quality ab initio multi-reference configuration interaction (MRCI) calculations. Of particular note is the MARVEL (Measured Active RoVibrational Energy Levels) program that enables a set of assigned transition frequencies with uncertainties to be converted into a set of empirical energy levels, and the Duo program that solves the nuclear motion Schrodinger equation for diatomic systems with multiple electronic states.
