五聚体电荷转移晶体中的电子相关和电子-分子振动耦合

IF 0.5 4区物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY

Acta Physica Polonica A Pub Date : 1995-04-01 DOI:10.12693/APHYSPOLA.87.819

V. Yartsev, C. Garrigou-Lagrange

{"title":"五聚体电荷转移晶体中的电子相关和电子-分子振动耦合","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":"{\"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}","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

摘要

利用聚类方法对五聚体低维分子晶体的光学性质进行了理论描述。哈伯德模型明确地考虑了线性五聚体中1,2,3,4和5个电子的电子相关性，以及电子与完全对称的分子内振动的耦合。计算的吸光度与TCNQ和TTF分子在五聚盐中的测量值进行了比较。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

ELECTRONIC CORRELATIONS AND ELECTRON-MOLECULAR VIBRATION COUPLING IN PENTAMERIZED CHARGE TRANSFER CRYSTALS

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.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Acta Physica Polonica A 物理-物理：综合

CiteScore

1.50

自引率

0.00%

发文量

141

审稿时长

6 months

期刊介绍： Contributions which report original research results and reviews in the fields of General Physics, Atomic and Molecular Physics, Optics and Quantum Optics, Quantum Information, Biophysics, Condensed Matter, and Applied Physics are welcomed.