{"title":"H-+ H2非反应散射的时变波包研究","authors":"S. Akpinar, S. Surucu","doi":"10.4236/jqis.2011.12013","DOIUrl":null,"url":null,"abstract":"Time dependent wave packet calculations have been performed for the H-+ H2nonreactive scattering, summed of elastic and inelastic probabilities, on the recent reported potential energy surface of the systems. The total probabilities for total angular momentum J up to 35 have been calculated to get the converged integral cross sections over collision energy range of 0.20 - 1.42 eV. Integral cross-sections and rate constants have been calculated from the wave packet transition probabilities for the initial states (υ = 0, j = 0) by means of J-shifting method and uniform J-shifting method for J > 0.","PeriodicalId":415657,"journal":{"name":"J. Quantum Inf. Sci.","volume":"61 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2011-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Time Dependent Wave Packet Study of the H-+ H2 Nonreactive Scattering\",\"authors\":\"S. Akpinar, S. Surucu\",\"doi\":\"10.4236/jqis.2011.12013\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Time dependent wave packet calculations have been performed for the H-+ H2nonreactive scattering, summed of elastic and inelastic probabilities, on the recent reported potential energy surface of the systems. The total probabilities for total angular momentum J up to 35 have been calculated to get the converged integral cross sections over collision energy range of 0.20 - 1.42 eV. Integral cross-sections and rate constants have been calculated from the wave packet transition probabilities for the initial states (υ = 0, j = 0) by means of J-shifting method and uniform J-shifting method for J > 0.\",\"PeriodicalId\":415657,\"journal\":{\"name\":\"J. Quantum Inf. Sci.\",\"volume\":\"61 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2011-09-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"J. Quantum Inf. Sci.\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.4236/jqis.2011.12013\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"J. Quantum Inf. Sci.","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.4236/jqis.2011.12013","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Time Dependent Wave Packet Study of the H-+ H2 Nonreactive Scattering
Time dependent wave packet calculations have been performed for the H-+ H2nonreactive scattering, summed of elastic and inelastic probabilities, on the recent reported potential energy surface of the systems. The total probabilities for total angular momentum J up to 35 have been calculated to get the converged integral cross sections over collision energy range of 0.20 - 1.42 eV. Integral cross-sections and rate constants have been calculated from the wave packet transition probabilities for the initial states (υ = 0, j = 0) by means of J-shifting method and uniform J-shifting method for J > 0.