{"title":"锂等电子序列的第s2态和第2nf态激发能","authors":"Qu Lian-hua, Wang Zhi-wen, Li Bai-wen","doi":"10.1088/1004-423X/8/6/004","DOIUrl":null,"url":null,"abstract":"The nonrelativistic energies of the 1s(2)nd and 1s(2)nf(n=6, 7, 8 and 9) states for the lithium isoelectronic sequence from Li I to Ne VIII are calculated by using a full core plus correlation method with multiconfiguration interaction wave function. Relativistic and mass-polarization effects on the energy are evaluated as the first-order perturbation theory. In most cases with nuclear charge, Z less than or equal to 7, the agreement between our predicted excitation energies and the experimental data is less than 1 cm(-1).","PeriodicalId":188146,"journal":{"name":"Acta Physica Sinica (overseas Edition)","volume":"61 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"1999-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Excitation energies of 1s2nd and 1s2nf states for the lithium isoelectronic sequence\",\"authors\":\"Qu Lian-hua, Wang Zhi-wen, Li Bai-wen\",\"doi\":\"10.1088/1004-423X/8/6/004\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The nonrelativistic energies of the 1s(2)nd and 1s(2)nf(n=6, 7, 8 and 9) states for the lithium isoelectronic sequence from Li I to Ne VIII are calculated by using a full core plus correlation method with multiconfiguration interaction wave function. Relativistic and mass-polarization effects on the energy are evaluated as the first-order perturbation theory. In most cases with nuclear charge, Z less than or equal to 7, the agreement between our predicted excitation energies and the experimental data is less than 1 cm(-1).\",\"PeriodicalId\":188146,\"journal\":{\"name\":\"Acta Physica Sinica (overseas Edition)\",\"volume\":\"61 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1999-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Physica Sinica (overseas Edition)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1088/1004-423X/8/6/004\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Physica Sinica (overseas Edition)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1088/1004-423X/8/6/004","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
用多组态相互作用波函数的全核加相关方法计算了Li I ~ Ne VIII等电子序列的1s(2)nd和1s(2)nf(n=6、7、8和9)态的非相对论能量。用一阶微扰理论评价了相对论和质量极化对能量的影响。在核电荷数Z小于等于7的大多数情况下,我们的预测激发能与实验数据之间的一致性小于1 cm(-1)。
Excitation energies of 1s2nd and 1s2nf states for the lithium isoelectronic sequence
The nonrelativistic energies of the 1s(2)nd and 1s(2)nf(n=6, 7, 8 and 9) states for the lithium isoelectronic sequence from Li I to Ne VIII are calculated by using a full core plus correlation method with multiconfiguration interaction wave function. Relativistic and mass-polarization effects on the energy are evaluated as the first-order perturbation theory. In most cases with nuclear charge, Z less than or equal to 7, the agreement between our predicted excitation energies and the experimental data is less than 1 cm(-1).