{"title":"甲烷中C-H键选择性振动激发和光解的激光脉冲优化","authors":"Sariful Rahaman, Bikram Nath, Chandan Kumar Mondal","doi":"10.1080/00268976.2023.2279258","DOIUrl":null,"url":null,"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)].","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":"111 43","pages":"0"},"PeriodicalIF":1.6000,"publicationDate":"2023-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Optimising laser pulses for selective vibrational excitations and photo-dissociation of the C–H bond in methane\",\"authors\":\"Sariful Rahaman, Bikram Nath, Chandan Kumar Mondal\",\"doi\":\"10.1080/00268976.2023.2279258\",\"DOIUrl\":null,\"url\":null,\"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)].\",\"PeriodicalId\":18817,\"journal\":{\"name\":\"Molecular Physics\",\"volume\":\"111 43\",\"pages\":\"0\"},\"PeriodicalIF\":1.6000,\"publicationDate\":\"2023-11-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Molecular Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1080/00268976.2023.2279258\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Molecular Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1080/00268976.2023.2279258","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Optimising laser pulses for selective vibrational excitations and photo-dissociation of the C–H bond in methane
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)].
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.