{"title":"外场作为非均匀密度的泛函和密度矩阵泛函的方法","authors":"V. B. Bobrov, S. Trigger, Yu. P. Vlasov","doi":"10.1209/0295-5075/98/53002","DOIUrl":null,"url":null,"abstract":"Based on the Hohenberg-Kohn lemma and the hypotheses of the density functional existence for the external-field potential, it is shown that the strict result of the density functional theory is the equation of the external-field potential as the density functional. This result leads to the impossibility of determining the inhomogeneous density in a given external field if the inhomogeneous density is not known a priori. The problem encountered is intimately associated with the absence of a regular procedure for determining the universal density functional. The result obtained shows the advantage of the density matrix functional theory which yields a correct description of the inhomogeneous electron system in both the ideal-gas approximation and the self-consistent Hartree-Fock approximation in contrast to the density functional theory.","PeriodicalId":171520,"journal":{"name":"EPL (Europhysics Letters)","volume":"7 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2012-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"8","resultStr":"{\"title\":\"External field as the functional of inhomogeneous density and the density matrix functional approach\",\"authors\":\"V. B. Bobrov, S. Trigger, Yu. P. Vlasov\",\"doi\":\"10.1209/0295-5075/98/53002\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Based on the Hohenberg-Kohn lemma and the hypotheses of the density functional existence for the external-field potential, it is shown that the strict result of the density functional theory is the equation of the external-field potential as the density functional. This result leads to the impossibility of determining the inhomogeneous density in a given external field if the inhomogeneous density is not known a priori. The problem encountered is intimately associated with the absence of a regular procedure for determining the universal density functional. The result obtained shows the advantage of the density matrix functional theory which yields a correct description of the inhomogeneous electron system in both the ideal-gas approximation and the self-consistent Hartree-Fock approximation in contrast to the density functional theory.\",\"PeriodicalId\":171520,\"journal\":{\"name\":\"EPL (Europhysics Letters)\",\"volume\":\"7 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2012-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"8\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"EPL (Europhysics Letters)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1209/0295-5075/98/53002\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"EPL (Europhysics Letters)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1209/0295-5075/98/53002","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
External field as the functional of inhomogeneous density and the density matrix functional approach
Based on the Hohenberg-Kohn lemma and the hypotheses of the density functional existence for the external-field potential, it is shown that the strict result of the density functional theory is the equation of the external-field potential as the density functional. This result leads to the impossibility of determining the inhomogeneous density in a given external field if the inhomogeneous density is not known a priori. The problem encountered is intimately associated with the absence of a regular procedure for determining the universal density functional. The result obtained shows the advantage of the density matrix functional theory which yields a correct description of the inhomogeneous electron system in both the ideal-gas approximation and the self-consistent Hartree-Fock approximation in contrast to the density functional theory.