QIBEBT-IR  > 先进材料理论与模拟团队(过去)
Initial state-specific photodissociation dynamics of pyrrole via (1)pi sigma*/S-0 conical intersection initiated with optimally controlled UV-laser pulses
Nandipati, K. R.1; Kanakati, Arun Kumar1; Singh, H.2; Lan, Z.3; Mahapatra, S.1
2017-09-01
发表期刊EUROPEAN PHYSICAL JOURNAL D
卷号71期号:9
摘要Optimal initiation of quantum dynamics of N-H photodissociation of pyrrole on the S-0-(1)pi sigma*((1)A(2)) coupled electronic states by UV-laser pulses in an effort to guide the subsequent dynamics to dissociation limits is studied theoretically. Specifically, the task of designing optimal laser pulses that act on initial vibrational states of the system for an effective UV-photodissociation is considered by employing optimal control theory. The associated control mechanism(s) for the initial state dependent photodissociation dynamics of pyrrole in the presence of control pulses is examined and discussed in detail. The initial conditions determine implicitly the variation in the dissociation probabilities for the two channels, upon interaction with the field. The optimal pulse corresponds to the objective fixed as maximization of overall reactive flux subject to constraints of reasonable fluence and quantum dynamics. The simple optimal pulses obtained by the use of genetic algorithm based optimization are worth an experimental implementation given the experimental relevance of pi sigma*-photochemistry in recent times.
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
DOI10.1140/epjd/e2017-70764-y
关键词[WOS]GRID HAMILTONIAN METHOD ; QUANTUM-OPTIMAL-CONTROL ; SCHRODINGER-EQUATION ; MOLECULAR-DYNAMICS ; EIGENFUNCTIONS ; APPROXIMATION ; SPECTROSCOPY ; EIGENVALUES ; SURFACES ; PHASE
收录类别SCI
语种英语
WOS研究方向Optics ; Physics
项目资助者CSIR ; DST(SB/S1/PC-052/2013) ; NSFC Project(21673266)
WOS类目Optics ; Physics, Atomic, Molecular & Chemical
WOS记录号WOS:000411083200001
引用统计
文献类型期刊论文
条目标识符http://ir.qibebt.ac.cn/handle/337004/9575
专题先进材料理论与模拟团队(过去)
作者单位1.Univ Hyderabad, Sch Chem, Hyderabad 500046, Andhra Pradesh, India
2.IIIT Hyderabad, Ctr Computat Nat Sci & Bioinformat, Hyderabad 500032, Andhra Pradesh, India
3.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, CAS Key Lab Bio Based Mat, Qingdao 266101, Peoples R China
推荐引用方式
GB/T 7714
Nandipati, K. R.,Kanakati, Arun Kumar,Singh, H.,et al. Initial state-specific photodissociation dynamics of pyrrole via (1)pi sigma*/S-0 conical intersection initiated with optimally controlled UV-laser pulses[J]. EUROPEAN PHYSICAL JOURNAL D,2017,71(9).
APA Nandipati, K. R.,Kanakati, Arun Kumar,Singh, H.,Lan, Z.,&Mahapatra, S..(2017).Initial state-specific photodissociation dynamics of pyrrole via (1)pi sigma*/S-0 conical intersection initiated with optimally controlled UV-laser pulses.EUROPEAN PHYSICAL JOURNAL D,71(9).
MLA Nandipati, K. R.,et al."Initial state-specific photodissociation dynamics of pyrrole via (1)pi sigma*/S-0 conical intersection initiated with optimally controlled UV-laser pulses".EUROPEAN PHYSICAL JOURNAL D 71.9(2017).
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Nandipati, K. R.]的文章
[Kanakati, Arun Kumar]的文章
[Singh, H.]的文章
百度学术
百度学术中相似的文章
[Nandipati, K. R.]的文章
[Kanakati, Arun Kumar]的文章
[Singh, H.]的文章
必应学术
必应学术中相似的文章
[Nandipati, K. R.]的文章
[Kanakati, Arun Kumar]的文章
[Singh, H.]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。