Recent Developments in Radiationless Transitions
文献类型：期刊论文
| 作者 | Niu Yingli1; Lin Chinkai2; Yang Ling3; Yu Jianguo4; He Rongxing5; Pang Ran6; Zhu Chaoyuan2; Michitoshi, Hayashi7; Hsien, Lin Sheng2 |
| 刊名 | PROGRESS IN CHEMISTRY
 |
| 出版日期 | 2012-06-24 |
| 卷号 | 24期号:6页码:928-949 |
| 关键词 | Radiationless Transition Internal Conversion Vibrational Relaxation Double Well Potential Anharmonic Effect |
| ISSN号 | 1005-281X |
| 英文摘要 | In this paper, we introduce recent works on the mathematical treatments and the first-principle calculations concerning the internal conversion rates for the cases with anharmonic potentials, and conical intersecting potentials. The simulations of absorption and emission spectra with anharmonic effects are also presented to check the validity of the potential energy surfaces obtained from the quantum chemical calculations. The effect of conical intersection on internal conversion has attracted considerable attention. In this paper a different approach is proposed and applied to pyrazine. Another important non-radiative process, molecular vibrational relaxation, is also treated by applying the adiabatic approximation to the ab initio anharmonic potential energy surfaces. The vibrational relaxation rates in water dimer and aniline are chosen to demonstrate the calculation. |
| 语种 | 英语 |
| WOS记录号 | WOS:000306379200005 |
| 出版者 | CHINESE ACAD SCIENCES |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/49443]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Niu Yingli |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China 2.Northwest Univ, Inst Modern Phys, Xian 710069, Peoples R China 3.Harbin Inst Technol, Inst Theoret & Simulat Chem, Acad Fundamental & Interdisciplinary Sci, Harbin 150080, Peoples R China 4.Beijing Normal Univ, Dept Chem, Beijing 100875, Peoples R China 5.Southwest Univ, Coll Chem & Chem Engn, Chongqing 400715, Peoples R China 6.Xiamen Univ, Coll Chem & Chem Engn, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China 7.Tohoku Univ, Fac Sci, Dept Chem, Sendai, Miyagi 980, Japan |
| 推荐引用方式 GB/T 7714 | Niu Yingli,Lin Chinkai,Yang Ling,et al. Recent Developments in Radiationless Transitions[J]. PROGRESS IN CHEMISTRY,2012,24(6):928-949. |
| APA | Niu Yingli.,Lin Chinkai.,Yang Ling.,Yu Jianguo.,He Rongxing.,...&Hsien, Lin Sheng.(2012).Recent Developments in Radiationless Transitions.PROGRESS IN CHEMISTRY,24(6),928-949. |
| MLA | Niu Yingli,et al."Recent Developments in Radiationless Transitions".PROGRESS IN CHEMISTRY 24.6(2012):928-949. |
入库方式： OAI收割
来源：化学研究所
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