{"title":"用MinPol基集计算正辛烷的静态偶极极化率","authors":"G. Maroulis","doi":"10.1163/157404006778330852","DOIUrl":null,"url":null,"abstract":"We present a systematic study of the dipole polarizability of n-octane. Our investigation relies on the recently proposed minimally polarized basis sets (MinPOL). It is shown that these small basis sets yield values for the mean and the anisotropy of the polarizability convincingly close to the available experimental results.","PeriodicalId":101169,"journal":{"name":"Soft Computing Letters","volume":"28 1","pages":"139-147"},"PeriodicalIF":0.0000,"publicationDate":"2006-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Static Dipole Polarizability of N-Octane Calculated With MinPol Basis Sets\",\"authors\":\"G. Maroulis\",\"doi\":\"10.1163/157404006778330852\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We present a systematic study of the dipole polarizability of n-octane. Our investigation relies on the recently proposed minimally polarized basis sets (MinPOL). It is shown that these small basis sets yield values for the mean and the anisotropy of the polarizability convincingly close to the available experimental results.\",\"PeriodicalId\":101169,\"journal\":{\"name\":\"Soft Computing Letters\",\"volume\":\"28 1\",\"pages\":\"139-147\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2006-03-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Soft Computing Letters\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1163/157404006778330852\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Soft Computing Letters","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1163/157404006778330852","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Static Dipole Polarizability of N-Octane Calculated With MinPol Basis Sets
We present a systematic study of the dipole polarizability of n-octane. Our investigation relies on the recently proposed minimally polarized basis sets (MinPOL). It is shown that these small basis sets yield values for the mean and the anisotropy of the polarizability convincingly close to the available experimental results.
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