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Line lists for BH isotopologues

Jonathan Tennyson, Charlie Gittelmon, Hong-Yi Soh, Charles A Bowesman, Sergei N Yurchenko2026年6月Plasma Physics and Controlled FusionIF 2.2出版社

The decision by the International Thermonuclear Experimental Reactor to use boron coated tungsten walls puts an emphasis on the spectroscopy of boron hydride, Boron hydride (BH), whose emissions can be used to monitor wall erosion. An accurate spectroscopic model for all six isotopologues of BH (BH, BH, BD, BD, BT and BT) is constructed and used to compute line lists for these species. These line lists, named AX, can be used to simulate both the A —X system in the 400 nm region and infrared transitions within the X ground. A MARVEL (Measured Active Rotation Vibration Energy Levels) study of observed BH high resolution spectra produces a list of 204 empirical energy levels which are used to tune potential energy curves used in the model, which results in root-mean-square errors between the calculated and empirical energy levels of 0.037 cm for the A state and 0.025 cm for the X state. The revised value between these states is 23151.78 cm. The MARVEL energy levels are also used explicitly to improve the energy levels and transition wavenumbers. Comparisons of our calculations with measured lifetimes and observed spectra give excellent agreement for BH. Our model is found to be good but less accurate for other isotopologues, but further improvements will require input from laboratory measurements. The line lists are made freely available on the ExoMol website (www.exomol.com).

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BH同位体種のラインリスト
JA核融合研究において壁材料の侵食を分光的に監視する必要がある研究者や学生#BH分光 #ラインリスト #核融合 #ITER #ExoMol
LLM向け: {"Title": "BH同位体種のラインリスト", "Authors": "不明", "Research Objective": "核融合炉の壁侵食監視のため…

核融合炉ITERでは、壁材料にホウ素コーティングされたタングステンが使用されるため、ホウ素水素化物(BH)の発光スペクトルによる壁侵食の監視が重要です。本研究では、6種類のBH同位体種(BH、BD、BTなど)に対して高精度な分光モデルを構築し、ラインリスト(AX)を作成しました。MARVEL解析により204の実験エネルギー準位を取得し、ポテンシャルエネルギー曲線を調整した結果、A状態で0.037 cm⁻¹、X状態で0.025 cm⁻¹の誤差に収まりました。計算結果は実測寿命やスペクトルとよく一致しましたが、他の同位体種では精度が劣るため、さらなる実験データが必要です。ラインリストはExoMolウェブサイトで公開されています。

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