中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: Excited state radiationless decay process with Duschinsky rotation effect: Formalism and implementation
作者: Peng, Qian;  Yi, Yuanping;  Shuai, Zhigang;  Shao, Jiushu
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2007-03-21
DOI: 10.1063/1.2710274
卷: 126, 期:11
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: Duschinsky rotation effect is a simple and effective way to characterize the difference between the ground state and excited state potential energy surfaces. For complex molecules, harmonic oscillator model is still the practical way to describe the dynamics of excited states. Based on the first-order perturbation theory a la Fermi golden rule, the authors have applied the path integral of Gaussian type for the correlation function to derive an analytic formalism to calculate the internal conversion rate process with Duschinsky rotation effect being taken into account. The validity of their formalism is verified through comparison with previous work, both analytically for the case of neglecting Duschinsky rotation and numerically for the ethylene molecules with two-mode mixing. Their expression is derived for multimode mixing.
关键词[WOS]: RESTRICTED INTRAMOLECULAR ROTATION ;  AGGREGATION-INDUCED EMISSION ;  AB-INITIO CALCULATIONS ;  POLYATOMIC-MOLECULES ;  LIGHT-EMISSION ;  THERMAL-STABILITY ;  ELECTRONIC STATES ;  S1 STATE ;  TRANSITIONS ;  SPECTROSCOPY
语种: 英语
WOS记录号: WOS:000245120400014
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140527
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Chinese Acad Sci, BNLMS, Key Lab Organ Solids, Beijing 100080, Peoples R China
2.Beijing Normal Univ, Dept Chem, Beijing 100875, Peoples R China
3.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China

Recommended Citation:
Peng, Qian,Yi, Yuanping,Shuai, Zhigang,et al. Excited state radiationless decay process with Duschinsky rotation effect: Formalism and implementation[J]. JOURNAL OF CHEMICAL PHYSICS,2007,126(11).
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Peng, Qian]'s Articles
 [Yi, Yuanping]'s Articles
 [Shuai, Zhigang]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Peng, Qian]‘s Articles
 [Yi, Yuanping]‘s Articles
 [Shuai, Zhigang]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace