ExoMol line lists - I. The rovibrational spectrum of BeH, MgH and CaH in the X2Σ+ state

被引:78
作者
Yadin, Benjamin [1 ]
Veness, Thomas [1 ]
Conti, Pierandrea [1 ]
Hill, Christian [1 ]
Yurchenko, Sergei N. [1 ]
Tennyson, Jonathan [1 ]
机构
[1] UCL, Dept Phys & Astron, London WC1E 6BT, England
基金
欧洲研究理事会;
关键词
molecular data; opacity; astronomical data bases: miscellaneous; planets and satellites: atmospheres; stars: low-mass; ULTRAVIOLET-ABSORPTION SPECTRUM; TRANSFORM EMISSION-SPECTROSCOPY; CORRELATED MOLECULAR CALCULATIONS; LASER EXCITATION SPECTROSCOPY; MILLIMETER-WAVE SPECTRUM; COOL STELLAR ATMOSPHERES; ELECTRIC-DIPOLE MOMENTS; AB-INITIO CALCULATION; GAUSSIAN-BASIS SETS; ISOTOPIC ABUNDANCES;
D O I
10.1111/j.1365-2966.2012.21367.x
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
Accurate line lists for three molecules, BeH, MgH and CaH, in their ground electronic states are presented. These line lists are suitable for temperatures relevant to exoplanetary atmospheres and cool stars (up to 2000 K). A combination of empirical and ab initio methods is used. The rovibrational energy levels of BeH, MgH and CaH are computed using the programs level and dpotfit in conjunction with spectroscopic potential energy curves (PECs). The PEC of BeH is taken from the literature, while the PECs of CaH and MgH are generated by fitting to the experimental transition energy levels. Both spin-rotation interactions (except for BeH, for which it is negligible) and non-adiabatic corrections are explicitly taken into account. Accurate line intensities are generated using newly computed ab initio dipole moment curves for each molecule using high levels of theory. Full line lists of rotationvibration transitions for 9BeH, 24MgH, 25MgH, 26MgH and 40CaH are made available in an electronic form as supporting information to this paper and at www.exomol.com.
引用
收藏
页码:34 / 43
页数:10
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