{"title":"用多态紧密耦合散射方法预解4HeH的a2sigma +, c2sigma +和d2sigma +能级","authors":"A. Vegiri, C. Nicolaides","doi":"10.1088/0953-4075/28/14/014","DOIUrl":null,"url":null,"abstract":"We have implemented a multistate close-coupling scattering approach to the calculation of the positions and partial and total widths of the rovibrational levels of the 2Sigma+ states of the 4HeH excimer molecule. Good agreement with available experimental data is obtained while a number of predictions are made. The results of the present multistate approach (MSA) are compared to those of the two-state approach (TSA), previously applied by a number of methods. Only for the lowest bound excited state, the A 2Sigma+, is there agreement, signifying the dominance of the A-X 2Sigma+ interaction. For the higher lying C and D 2Sigma+ states, the MSA produces significantly different results. The same should apply to similar situations in other excimer spectra.","PeriodicalId":16799,"journal":{"name":"Journal of Physics B","volume":"8 1","pages":"2927-2939"},"PeriodicalIF":0.0000,"publicationDate":"1995-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"3","resultStr":"{\"title\":\"Predissociation of the A 2Sigma+, C 2Sigma+ and D 2Sigma+ levels of 4HeH from a multistate close-coupling scattering approach\",\"authors\":\"A. Vegiri, C. Nicolaides\",\"doi\":\"10.1088/0953-4075/28/14/014\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We have implemented a multistate close-coupling scattering approach to the calculation of the positions and partial and total widths of the rovibrational levels of the 2Sigma+ states of the 4HeH excimer molecule. Good agreement with available experimental data is obtained while a number of predictions are made. The results of the present multistate approach (MSA) are compared to those of the two-state approach (TSA), previously applied by a number of methods. Only for the lowest bound excited state, the A 2Sigma+, is there agreement, signifying the dominance of the A-X 2Sigma+ interaction. For the higher lying C and D 2Sigma+ states, the MSA produces significantly different results. The same should apply to similar situations in other excimer spectra.\",\"PeriodicalId\":16799,\"journal\":{\"name\":\"Journal of Physics B\",\"volume\":\"8 1\",\"pages\":\"2927-2939\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1995-07-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Physics B\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1088/0953-4075/28/14/014\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Physics B","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1088/0953-4075/28/14/014","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 3
摘要
我们实现了一种多态紧密耦合散射方法来计算4HeH准分子的2Sigma+态的旋转振动能级的位置和部分宽度和总宽度。结果与现有实验数据吻合较好,并进行了一些预测。本文将多态方法(MSA)的结果与两态方法(TSA)的结果进行了比较。只有最低边界激发态a2sigma +才有一致性,这表明A- x 2Sigma+相互作用占主导地位。对于较高的C和d2sigma +态,MSA产生显著不同的结果。这同样适用于其他准分子光谱中的类似情况。
Predissociation of the A 2Sigma+, C 2Sigma+ and D 2Sigma+ levels of 4HeH from a multistate close-coupling scattering approach
We have implemented a multistate close-coupling scattering approach to the calculation of the positions and partial and total widths of the rovibrational levels of the 2Sigma+ states of the 4HeH excimer molecule. Good agreement with available experimental data is obtained while a number of predictions are made. The results of the present multistate approach (MSA) are compared to those of the two-state approach (TSA), previously applied by a number of methods. Only for the lowest bound excited state, the A 2Sigma+, is there agreement, signifying the dominance of the A-X 2Sigma+ interaction. For the higher lying C and D 2Sigma+ states, the MSA produces significantly different results. The same should apply to similar situations in other excimer spectra.