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  • Luo, Y., et al. (author)
  • Dielectric and optical properties of pure liquids by means of ab initio reaction field theory
  • 1998
  • In: Physical Review E. Statistical, Nonlinear, and Soft Matter Physics. - : American Physical Society (APS). - 1063-651X .- 1095-3787. ; 57:4, s. 4778-4785
  • Journal article (peer-reviewed)abstract
    • A general Onsager-type reaction field theory approach for simulating dielectric and optical properties is proposed, thereby giving a unified description for both macroscopic and microscopic properties of pure liquids. A demonstration is given for ab initio computations of the refractive index, the density fluctuation of the refractive index, and the local field factors of benzene and acetonitrile in the liquid phase, showing good agreement with available experimental data.
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Type of publication
journal article (1)
Type of content
peer-reviewed (1)
Author/Editor
LUO, Y (1)
Ågren, H (1)
Norman, P. (1)
Mikkelsen, K. V. (1)
Sylvester-Hvid, K. O ... (1)
University
Royal Institute of Technology (1)
Language
English (1)
Research subject (UKÄ/SCB)
Natural sciences (1)
Year
1998 (1)

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