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Computer simulation of the non-local dielectric function of polar liquids: boundary conditions revisited.

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Title: Computer simulation of the non-local dielectric function of polar liquids: boundary conditions revisited.
Authors: Sutmann, Godehard
Source: Molecular Physics. 06/20/99, Vol. 96 Issue 12, p1781-1788. 8p.
Subjects: Fluctuations (Physics), Boundary value problems, Green's functions
Abstract: For the calculation of epsilon(k) via the correlation function of the bound charge density fluctuations or the ratio of the bound charge density to an external charge density, a generalized form of the fluctuation dissipation theorem is derived which accounts for different types of boundary conditions through a modified Green's function. It is demonstrated for the case of an interaction site model of water that it is possible to obtain consistent results for the non-local dielectric function with different types of boundary conditions. This is shown by calculating epsilon(k) both from the correlation function <ρ b(k)ρ b(-k) and from the dielectric response to an external electric field. [ABSTRACT FROM AUTHOR]
Copyright of Molecular Physics is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
An: 3844361
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
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  Data: &lt;searchLink fieldCode=&quot;JN&quot; term=&quot;%22Molecular+Physics%22&quot;&gt;Molecular Physics&lt;/searchLink&gt;. 06/20/99, Vol. 96 Issue 12, p1781-1788. 8p.
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  Data: For the calculation of epsilon(k) via the correlation function of the bound charge density fluctuations or the ratio of the bound charge density to an external charge density, a generalized form of the fluctuation dissipation theorem is derived which accounts for different types of boundary conditions through a modified Green&#39;s function. It is demonstrated for the case of an interaction site model of water that it is possible to obtain consistent results for the non-local dielectric function with different types of boundary conditions. This is shown by calculating epsilon(k) both from the correlation function &lt;ρ b(k)ρ b(-k) and from the dielectric response to an external electric field. [ABSTRACT FROM AUTHOR]
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  Data: &lt;i&gt;Copyright of Molecular Physics is the property of Taylor &amp; Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder&#39;s express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.&lt;/i&gt; (Copyright applies to all Abstracts.)
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        Value: 10.1080/00268979909483121
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        Text: English
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      – SubjectFull: Fluctuations (Physics)
        Type: general
      – SubjectFull: Boundary value problems
        Type: general
      – SubjectFull: Green's functions
        Type: general
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      – TitleFull: Computer simulation of the non-local dielectric function of polar liquids: boundary conditions revisited.
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              M: 06
              Text: 06/20/99
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              Y: 1999
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