ExoMol molecular line lists - XXXIII. The spectrum of Titanium Oxide
ExoMol molecular line lists - XXXIII. The spectrum of Titanium Oxide
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DOI：
10.1093/mnras/stz1818
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发表时间：
2019-09-01
影响因子：
4.8
通讯作者：
Tennyson, Jonathan
中科院分区：
文献类型：
--
作者：
McKemmish, Laura K.;Masseron, Thomas;Tennyson, Jonathan
精确的线表对于正确模拟各种天体物理现象至关重要，包括恒星光球和太阳系外行星的大气层。本文提出了一种新的联机数据库TOTO，用于分析氧化钛（TiO）的主要同位素：(TiO)-Ti-46-O-16、(TiO)-Ti-47-O-16、(TiO)-Ti-48-O-16、(TiO)-Ti-49-O-16和(TiO)-Ti-50-O-16。（TiO）-Ti-48-O-16线列表包含波数高达30,000 cm（-1）的跃迁，即纵向0.33 μ m。TOTO线列表包括所有偶极子允许的13个低处电子态之间的跃迁(X (3)Delta, a(1)Delta, d (1)Sigma(+), E (3)Pi, a(3) Phi, b (3)Pi, C (3)Delta, b (1) Pi, C (1) Phi, f (1)Delta, E （1)Sigma(+)）。在icMRCI水平上计算了从头算势能曲线，并与自旋轨道和其他耦合曲线相结合。这些pec和耦合被迭代地改进以匹配已知的经验能级。利用从头算偶极矩曲线生成精确的线强度。TOTO线列表适用于低于5000 K的温度，包含(TiO)-Ti-48-O-16的3000万次转变；它以电子形式通过CDS数据中心和www.exomol.com提供。对谱线表的测试表明，谱线表与观测到的m型矮星GJ876和GL581的谱线有很大的一致性。
Accurate line lists are crucial for correctly modelling a variety of astrophysical phenomena, including stellar photospheres and the atmospheres of extrasolar planets. This paper presents a new line database TOTO for the main isotopologues of titanium oxide (TiO): (TiO)-Ti-46-O-16, (TiO)-Ti-47-O-16, (TiO)-Ti-48-O-16, (TiO)-Ti-49-O-16, and (TiO)-Ti-50-O-16. The (TiO)-Ti-48-O-16 line list contains transitions with wave-numbers up to 30 000 cm(-1), i.e. longwards of 0.33 mu m. The TOTO line list includes all dipole-allowed transitions between 13 low-lying electronic states (X (3)Delta, a (1)Delta, d (1)Sigma(+), E (3)Pi, A (3) Phi, B-3 Pi, C (3) Delta, b (1) Pi, c (1) Phi, f (1)Delta, e (1) Sigma (+)). Ab initio potential energy curves (PECs) are computed at the icMRCI level and combined with spin-orbit and other coupling curves. These PECs and couplings are iteratively refined to match known empirical energy levels. Accurate line intensities are generated using ab initio dipole moment curves. The TOTO line lists are appropriate for temperatures below 5000 K and contain 30 million transitions for (TiO)-Ti-48-O-16; it is made available in electronic form via the CDS data centre and via www.exomol.com. Tests of the line lists show greatly improved agreement with observed spectra for objects such as M-dwarfs GJ876 and GL581.