Optimising laser pulses for selective vibrational excitations and photo-dissociation of the C–H bond in methane

IF 1.6 4区化学 Q4 CHEMISTRY, PHYSICAL

Molecular Physics Pub Date : 2023-11-10 DOI:10.1080/00268976.2023.2279258

Sariful Rahaman, Bikram Nath, Chandan Kumar Mondal

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Abstract

AbstractThis paper presents a study on the optimisation of laser pulse parameters using an optimal control theory based adaptive simulated annealing technique. The objective of this study is to obtain a cost-effective laser pulse that can selectively excite the vibrational state and cause photo-dissociation of the C–H bond in a methane molecule. We have optimised both sinusoidal and linear ramped pulses using the proposed technique, and incorporated a linear chirping in the field as well. The results demonstrate the effectiveness of the proposed approach in designing laser pulses for targeted molecular excitation and dissociation.KEYWORDS: Photo-dissociationlaser pulse designoptimal control theorysimulated annealing techniqueFourier grid Hamiltonian method AcknowledgementsThe work was supported by UGC, Govt. of India, under CAS program [Grant no. F.540/8/CAS-II/2015(SAPI)].Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingThis work was supported by UGC, Govt. of India [grant number F.540/8/CAS-II/2015(SAPI)].

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甲烷中C-H键选择性振动激发和光解的激光脉冲优化

摘要本文研究了一种基于最优控制理论的自适应模拟退火技术对激光脉冲参数的优化。本研究的目的是获得一种具有成本效益的激光脉冲，该脉冲可以选择性地激发甲烷分子中的振动状态并引起C-H键的光解离。我们使用所提出的技术优化了正弦和线性斜坡脉冲，并在现场加入了线性啁啾。结果证明了该方法在设计靶向分子激发和解离激光脉冲方面的有效性。关键词:光解耦激光脉冲设计，最优控制理论，模拟退火技术，傅立叶网格，哈密顿方法。F.540/8 CAS-II / 2015 (SAPI)]。披露声明作者未报告潜在的利益冲突。本研究得到了印度政府教资会的支持[赠款号F.540/8/CAS-II/2015(SAPI)]。

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来源期刊

Molecular Physics 物理-物理：原子、分子和化学物理

CiteScore

3.60

自引率

5.90%

发文量

269

审稿时长

2 months

期刊介绍： Molecular Physics is a well-established international journal publishing original high quality papers in chemical physics and physical chemistry. The journal covers all experimental and theoretical aspects of molecular science, from electronic structure, molecular dynamics, spectroscopy and reaction kinetics to condensed matter, surface science, and statistical mechanics of simple and complex fluids. Contributions include full papers, preliminary communications, research notes and invited topical review articles.