| 低温下氘分子红外吸收特性研究 |
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| 引用本文： | 刘江平,黎军,刘元琼,雷海乐,韦建军.低温下氘分子红外吸收特性研究[J].物理学报,2014,63(2):23301-023301. |
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| 作者姓名： | 刘江平 黎军 刘元琼 雷海乐 韦建军 |
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| 作者单位： | 1. 中国工程物理研究院激光聚变研究中心, 绵阳 621900;2. 四川大学原子与分子物理研究所, 成都 610065 |
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| 摘 要： | 采用基于第一性原理的从头计算单双取代耦合簇方法并结合cc-PVTZ基组,计算了处于基态的(D2)3分子两种不同构型(D2d和D2h)的各种能量模式及其对应的红外谱图.利用自主研制的低温平面冷冻靶系统和低温红外光谱测量系统获得了低温下液氘的红外吸收谱.结果表明,实验测得的液氘红外吸收最强位置与理论计算得到的基态(D2)3分子的红外强度最大位置基本一致,且均为低模式Q1(0)+S0(0).
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| 关 键 词： | 冷冻靶 液氘 红外光谱 密度泛函理论 |
| 收稿时间： | 2013-09-22 |
Infrared absorption of deuterium molecules at low temperature |
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| Liu Jiang-Ping,Li Jun,Liu Yuan-Qiong,Lei Hai-Le,Wei Jian-Jun.Infrared absorption of deuterium molecules at low temperature[J].Acta Physica Sinica,2014,63(2):23301-023301. |
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| Authors: | Liu Jiang-Ping Li Jun Liu Yuan-Qiong Lei Hai-Le Wei Jian-Jun |
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| Institution: | 1. Research Centre of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900, China;2. Institute of Atomic and Moleculer Physics, Sichuan University, Chengdu 610065, China |
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| Abstract: | The vibration/rotation modes and the corresponding infrared spectra of deuterium molecules with the D2d/D2h structures are calculated using the coupled cluster singles and doubles method with the cc-PVTZ basis sets within the framework of the density function theory. The infrared (IR) absorption spectrum of liquid deuterium is experimentally measured in a home-made cryogenic target system by a home-made low-temperature infrared spectroscope. The experimental results show that the strongest IR absorption peak of liquid deuterium is related to the Q1(0)+S0(0) mode, which is in good agreement with the theoretical calculation. |
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| Keywords: | cryogenic target system liquid deuterium infrared spectrum density functional theory |
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