A high-accuracy computed water line list
نویسندگان
چکیده
منابع مشابه
A high-accuracy computed water line list
A computed list of H2 O infra-red transition frequencies and intensities is presented. The list, BT2, was produced using a discrete variable representation two-step approach for solving the rotation-vibration nuclear motions. It is the most complete water line list in existence, comprising over 500 million transitions (65% more than any other list) and it is also the most accurate (over 90% of ...
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A computed list of HD16O infrared transition frequencies and intensities is presented. The list, VTT, was produced using a discrete variable representation two-step approach for solving the rotation–vibration nuclear motions. The VTT line list contains almost 700 million transitions and can be used to simulate spectra of mono-deuterated water over the entire temperature range that are of import...
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A comprehensive, calculated line list of frequencies and transition probabilities for the singly deuterated isotopologue of H3 , H2D +, is presented. The line list, called ST1, contains over 22 million rotational-vibrational transitions occurring between more than 33 thousand energy levels; it covers frequencies up to 18 500 cm−1. All energy levels with rotational quantum number, J, up to 20 ar...
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Calculations are reported on the rotation-vibration energy levels of ammonia with associated transition intensities. A potential energy surface obtained from coupled cluster CCSD(T) calculations and subsequent fitting against experimental data is further refined by a slight adjustment of the equilibrium geometry, which leads to a significant improvement in the rotational energy level structure....
متن کاملA variationally computed line list for hot NH3
We present ‘BYTe’, a comprehensive ‘hot’ line list for the ro-vibrational transitions of ammonia, NH3, in its ground electronic state. This line list has been computed variationally using the program suite TROVE, a new spectroscopically determined potential energy surface and an ab initio dipole moment surface. BYTe, is designed to be used at all temperatures up to 1500 K. It comprises 1138 323...
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ژورنال
عنوان ژورنال: Monthly Notices of the Royal Astronomical Society
سال: 2006
ISSN: 0035-8711,1365-2966
DOI: 10.1111/j.1365-2966.2006.10184.x