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ShanghaiTech University Knowledge Management System
| Vibronic effect study of 1A2 state of H2O and D2O | |
| 2024-05-01 | |
| 发表期刊 | CHINESE PHYSICS B (IF:1.5[JCR-2023],1.4[5-Year]) |
| ISSN | 1674-1056 |
| EISSN | 2058-3834 |
| 卷号 | 33期号:5 |
| 发表状态 | 已发表 |
| DOI | 10.1088/1674-1056/ad24d9 |
| 摘要 | The generalized oscillator strengths of the dipole-forbidden excitations of the (1)A(2) of H2O and D2O were calculated with the time dependent density functional theory, by taking into account the vibronic effect. It is found that the vibronic effect converts the dipole-forbidden excitation of the (1)A(2) into a dipole-allowed one, which enhances the intensities of the corresponding generalized oscillator strength in the small squared momentum transfer region. The present investigation shows that the vibronic effect of H2O is slightly stronger than that of D2O, which exhibits a clear isotopic effect. |
| 关键词 | water heavy water generalized oscillator strength vibronic effect isotope effect |
| URL | 查看原文 |
| 收录类别 | SCI ; EI |
| 语种 | 英语 |
| 资助项目 | National Natural Science Foundation of China[ |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Multidisciplinary |
| WOS记录号 | WOS:001222367400001 |
| 出版者 | IOP Publishing Ltd |
| EI入藏号 | 20242116117706 |
| EI主题词 | Heavy water |
| EI分类号 | 804 Chemical Products Generally ; 922.1 Probability Theory ; 931.3 Atomic and Molecular Physics ; 931.4 Quantum Theory ; Quantum Mechanics |
| 原始文献类型 | Journal article (JA) |
| 文献类型 | 期刊论文 |
| 条目标识符 | https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/378315 |
| 专题 | 大科学中心_公共科研平台_大科学装置建设部 |
| 通讯作者 | Wu, Yong; Zhu, Lin-Fan |
| 作者单位 | 1.Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Peoples R China 2.ShanghaiTech Univ, Ctr Transformat Sci, Shanghai 201210, Peoples R China 3.Yantai Univ, Dept Phys, Yantai 264005, Peoples R China 4.Inst Appl Phys & Computat Math, Beijing 100088, Peoples R China 5.Shaanxi Normal Univ, Sch Phys & Informat Technol, Xian 710119, Peoples R China 6.Peking Univ, Ctr Appl Phys & Technol, HEDPS, Beijing 100084, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Bei-Yuan,Wang, Li-Han,Zhu, Jian-Hui,et al. Vibronic effect study of 1A2 state of H2O and D2O[J]. CHINESE PHYSICS B,2024,33(5). |
| APA | Zhang, Bei-Yuan.,Wang, Li-Han.,Zhu, Jian-Hui.,Xu, Wei-Qing.,Ma, Zi-Ru.,...&Zhu, Lin-Fan.(2024).Vibronic effect study of 1A2 state of H2O and D2O.CHINESE PHYSICS B,33(5). |
| MLA | Zhang, Bei-Yuan,et al."Vibronic effect study of 1A2 state of H2O and D2O".CHINESE PHYSICS B 33.5(2024). |
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