{"title":"离子对Li+…Br−，Na+…Br−，K+…Br−和Br−的从头算相互作用极化和对势","authors":"Alan Hinchliffe","doi":"10.1016/0378-4487(82)80010-1","DOIUrl":null,"url":null,"abstract":"<div><p>Pair potentials and polarizabilities of LiBr, NaBr, KBr and Br<sub>2</sub><sup>2−</sup> have been computed over a range of internuclear separations R using the gaussian orbital SCF-MO method. Together with results previously reported for all other ion pairs, the present values form a complete and consistent set of energy and polarizability data on the bromides of lithium, sodium and potassium.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"22 4","pages":"Pages 251-258"},"PeriodicalIF":0.0000,"publicationDate":"1982-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80010-1","citationCount":"3","resultStr":"{\"title\":\"AB initio interaction polarizabilities and pair potentials for the ion pairs Li+…Br−, Na+…Br−, K+…Br− and Br−\",\"authors\":\"Alan Hinchliffe\",\"doi\":\"10.1016/0378-4487(82)80010-1\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Pair potentials and polarizabilities of LiBr, NaBr, KBr and Br<sub>2</sub><sup>2−</sup> have been computed over a range of internuclear separations R using the gaussian orbital SCF-MO method. Together with results previously reported for all other ion pairs, the present values form a complete and consistent set of energy and polarizability data on the bromides of lithium, sodium and potassium.</p></div>\",\"PeriodicalId\":100049,\"journal\":{\"name\":\"Advances in Molecular Relaxation and Interaction Processes\",\"volume\":\"22 4\",\"pages\":\"Pages 251-258\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1982-04-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/0378-4487(82)80010-1\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advances in Molecular Relaxation and Interaction Processes\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/0378448782800101\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advances in Molecular Relaxation and Interaction Processes","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/0378448782800101","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
AB initio interaction polarizabilities and pair potentials for the ion pairs Li+…Br−, Na+…Br−, K+…Br− and Br−
Pair potentials and polarizabilities of LiBr, NaBr, KBr and Br22− have been computed over a range of internuclear separations R using the gaussian orbital SCF-MO method. Together with results previously reported for all other ion pairs, the present values form a complete and consistent set of energy and polarizability data on the bromides of lithium, sodium and potassium.
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