{"title":"反应散射的量子波包计算","authors":"V. Mohan, N. Sathyamurthy","doi":"10.1016/0167-7977(88)90017-2","DOIUrl":null,"url":null,"abstract":"<div><p>There has been a renewed interest in the time-dependent quantum mechanical approach to reactive scattering in the last few years. Many of the bottlenecks in numerically solving the time-dependent Schrödinger equation for atom-diatom exchange reactions, collision-induced dissociation and related processes have been removed with the result that it has become a viable alternative (and sometimes preferable) to the time-independent route. We seem to be at the threshold of studying three dimensional atom-diatom collisions the time-dependent way. The different computational methods that have made this possible and the applications that have created such an interest are reviewed here.</p></div>","PeriodicalId":100318,"journal":{"name":"Computer Physics Reports","volume":"7 5","pages":"Pages 213-258"},"PeriodicalIF":0.0000,"publicationDate":"1988-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0167-7977(88)90017-2","citationCount":"58","resultStr":"{\"title\":\"Quantal wavepacket calculations of reactive scattering\",\"authors\":\"V. Mohan, N. Sathyamurthy\",\"doi\":\"10.1016/0167-7977(88)90017-2\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>There has been a renewed interest in the time-dependent quantum mechanical approach to reactive scattering in the last few years. Many of the bottlenecks in numerically solving the time-dependent Schrödinger equation for atom-diatom exchange reactions, collision-induced dissociation and related processes have been removed with the result that it has become a viable alternative (and sometimes preferable) to the time-independent route. We seem to be at the threshold of studying three dimensional atom-diatom collisions the time-dependent way. The different computational methods that have made this possible and the applications that have created such an interest are reviewed here.</p></div>\",\"PeriodicalId\":100318,\"journal\":{\"name\":\"Computer Physics Reports\",\"volume\":\"7 5\",\"pages\":\"Pages 213-258\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1988-05-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/0167-7977(88)90017-2\",\"citationCount\":\"58\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computer Physics Reports\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/0167797788900172\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computer Physics Reports","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/0167797788900172","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Quantal wavepacket calculations of reactive scattering
There has been a renewed interest in the time-dependent quantum mechanical approach to reactive scattering in the last few years. Many of the bottlenecks in numerically solving the time-dependent Schrödinger equation for atom-diatom exchange reactions, collision-induced dissociation and related processes have been removed with the result that it has become a viable alternative (and sometimes preferable) to the time-independent route. We seem to be at the threshold of studying three dimensional atom-diatom collisions the time-dependent way. The different computational methods that have made this possible and the applications that have created such an interest are reviewed here.