Atomistic simulations of the local electric field in dielectric liquids

The linear response of the local electric field to an external electric field is calculated by a force-field model for frequencies through the first molecular excitation energy. Both static and frequency-dependent external fields are applied and results for the local field are presented for liquid b...

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Bibliographic Details
Main Authors: Davari, N., Daub, C. D., Astrand, P.-O, Unge, M.
Format: Conference Proceeding
Language:English
Subjects:
Atomic clocks
Atomic measurements
Electric fields
force-field model
local electric field
molecular dynamic simulation
Optical polarization
polarizability
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Description
Summary:The linear response of the local electric field to an external electric field is calculated by a force-field model for frequencies through the first molecular excitation energy. Both static and frequency-dependent external fields are applied and results for the local field are presented for liquid benzene as a model system by combining molecular dynamics simulations and the local field model. It is found that the largest local field response is around 8 at the absorption frequency but it depends significantly on the molecular configuration of the liquid.
ISSN:2153-3725
2153-3733
DOI:10.1109/ICDL.2014.6893141