论文标题

10670 cm $^{ - 1} $的近红外水线强度的次级准确性:实验和分析

Sub-percent accuracy for the intensity of a near infrared water line at 10670 cm$^{-1}$: experiment and analysis

论文作者

Rubin, Tom M., Sarrazin, Marian, Zobov, Nikolai F., Tennyson, Jonathan, Polyansky, Oleg L.

论文摘要

(201)3 $ _ {22} $ - (000)2 $ _ {21} $近红外吸水线在10670.1 \ cm \的激光测量(201)3 $ _ {22} $ - (000)2 $ _ {21} $近红外吸水线。这些测量值通过考虑新的几何派生公式的选择,而无需近似值,将标准偏差低于0.3〜%的标准偏差确定了线强度。该确定与当前可接受的值一起导致总体不确定性为实验评估的线强度的0.7〜%,这与以前的{\ it i ab intib}预测相比。发现在理论研究中使用的偶极矩表面(DM)和势能表面(PE)的稳定改善导致与观察结果有系统地更好地吻合,最新的预测与实验紧密同意。

Laser measurements of the intensity of (201) 3$_{22}$ -- (000) 2$_{21}$ near-infrared water absorption line at 10670.1 \cm\ are made using three different Herriott cells. These measurements determine the line intensity with an standard deviation below of 0.3~\% by consideration of the new geometrically derived formula for the opt ical path length without approximations. This determination together with the current accepted value leads to an overall uncertainty of 0.7~\% of the experimentally assessed line intensity which is compared with previous {\it ab initio} predictions. It is found that steady improvements in the both the dipole moment surface (DMS) and potential energy surface (PES) used in the theoretical studies leads to systematic better agreement with the observation, with the most recent prediction agreeing closely with the experiment.

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