J. Tennyson, Marco Pezzella, Jingxin Zhang, S. Yurchenko
{"title":"ExoMol项目中的光吸附数据结构","authors":"J. Tennyson, Marco Pezzella, Jingxin Zhang, S. Yurchenko","doi":"10.1093/rasti/rzad014","DOIUrl":null,"url":null,"abstract":"\n The ExoMol database currently provides comprehensive line lists for modelling the spectroscopic properties of molecules in hot atmospheres. Extending the spectral range of the data provided to ultraviolet (UV) wavelengths brings into play three processes not currently accounted for in the ExoMol data structure, namely photodissociation, which is an important chemical process in its own right, the opacity contribution due to continuum absorption and predissociation which can lead to significant and observable line broadening effects. Data structures are proposed which will allow these processes to be correctly captured and the (strong) temperature-dependent effects predicted for UV molecular photoabsorption in general and photodissociation in particular to be represented.","PeriodicalId":367327,"journal":{"name":"RAS Techniques and Instruments","volume":"47 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2023-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Data structures for photoadsorption within the ExoMol project\",\"authors\":\"J. Tennyson, Marco Pezzella, Jingxin Zhang, S. Yurchenko\",\"doi\":\"10.1093/rasti/rzad014\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\\n The ExoMol database currently provides comprehensive line lists for modelling the spectroscopic properties of molecules in hot atmospheres. Extending the spectral range of the data provided to ultraviolet (UV) wavelengths brings into play three processes not currently accounted for in the ExoMol data structure, namely photodissociation, which is an important chemical process in its own right, the opacity contribution due to continuum absorption and predissociation which can lead to significant and observable line broadening effects. Data structures are proposed which will allow these processes to be correctly captured and the (strong) temperature-dependent effects predicted for UV molecular photoabsorption in general and photodissociation in particular to be represented.\",\"PeriodicalId\":367327,\"journal\":{\"name\":\"RAS Techniques and Instruments\",\"volume\":\"47 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-05-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"RAS Techniques and Instruments\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1093/rasti/rzad014\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"RAS Techniques and Instruments","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1093/rasti/rzad014","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Data structures for photoadsorption within the ExoMol project
The ExoMol database currently provides comprehensive line lists for modelling the spectroscopic properties of molecules in hot atmospheres. Extending the spectral range of the data provided to ultraviolet (UV) wavelengths brings into play three processes not currently accounted for in the ExoMol data structure, namely photodissociation, which is an important chemical process in its own right, the opacity contribution due to continuum absorption and predissociation which can lead to significant and observable line broadening effects. Data structures are proposed which will allow these processes to be correctly captured and the (strong) temperature-dependent effects predicted for UV molecular photoabsorption in general and photodissociation in particular to be represented.
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