Initial state-specific photodissociation dynamics of pyrrole via (1)pi sigma*/S-0 conical intersection initiated with optimally controlled UV-laser pulses
文献类型：期刊论文
| 作者 | Nandipati, K. R.1; Kanakati, Arun Kumar1; Singh, H.2; Lan, Z.3; Mahapatra, S.1 |
| 刊名 | EUROPEAN PHYSICAL JOURNAL D
 |
| 出版日期 | 2017-09-01 |
| 卷号 | 71期号:9 |
| DOI | 10.1140/epjd/e2017-70764-y |
| 文献子类 | Article |
| 英文摘要 | 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. |
| WOS关键词 | GRID HAMILTONIAN METHOD ; QUANTUM-OPTIMAL-CONTROL ; SCHRODINGER-EQUATION ; MOLECULAR-DYNAMICS ; EIGENFUNCTIONS ; APPROXIMATION ; SPECTROSCOPY ; EIGENVALUES ; SURFACES ; PHASE |
| WOS研究方向 | Optics ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000411083200001 |
| 资助机构 | CSIR ; DST(SB/S1/PC-052/2013) ; NSFC Project(21673266) |
| 源URL | [http://ir.qibebt.ac.cn/handle/337004/9575]  |
| 专题 | 青岛生物能源与过程研究所_先进材料理论与模拟团队 |
| 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). |
入库方式： OAI收割
来源：青岛生物能源与过程研究所
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