{"title":"ELECTRONIC CORRELATIONS AND ELECTRON-MOLECULAR VIBRATION COUPLING IN PENTAMERIZED CHARGE TRANSFER CRYSTALS","authors":"V. Yartsev, C. Garrigou-Lagrange","doi":"10.12693/APHYSPOLA.87.819","DOIUrl":null,"url":null,"abstract":"A cluster approach is used for a theoretical description of the optical properties of pentamerized low-dimensional molecular crystals. Electronic correlations are taken into account explicitly in the Hubbard model for 1, 2, 3, 4 and 5 electrons in a linear pentamer, as well as coupling of electrons to the totally symmetric intramolecular vibrations. Calculated absorbance is compared to the measured one in pentamerized salt of TCNQ and TTF molecules.","PeriodicalId":7164,"journal":{"name":"Acta Physica Polonica A","volume":"33 1","pages":"819-822"},"PeriodicalIF":0.5000,"publicationDate":"1995-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Physica Polonica A","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.12693/APHYSPOLA.87.819","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
A cluster approach is used for a theoretical description of the optical properties of pentamerized low-dimensional molecular crystals. Electronic correlations are taken into account explicitly in the Hubbard model for 1, 2, 3, 4 and 5 electrons in a linear pentamer, as well as coupling of electrons to the totally symmetric intramolecular vibrations. Calculated absorbance is compared to the measured one in pentamerized salt of TCNQ and TTF molecules.
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