Computation
High accuracy line intensity data for carbon dioxide
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Abstract
The Lodi-Tennyson method [33] for validating linelists on a purely theoretical basis relies on the use of accurate, ab initio transition intensity calculations require an accurate procedures for obtaining nuclear motion wavefunctions together with the use of at least two DMSs and two PESs. This is described in this paperE. Zak, J. Tennyson, O.L. Polyansky, L. Lodi, S.A. Tashkun and V.I. Perevalov, A room temperature CO2 line list with ab initio computed intensities, J. Quant. Spectrosc. Rad. Transf, 177, 31-42 (2016). doi 10.1016/j.jqsrt.2015.12.022
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A room temperature CO2 line list with ab initio computed intensities |
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