Calculation of ionization potentials and electron affinities for molecules relevant for streamer initiation and propagation

We have compared three different methods for calculating the ionization potential and electron affinities for typical molecules used in streamer propagation studies. The calculation of the ionization potential is straightforward. The electron affinities are more difficult to calculate and we discuss...

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Bibliographic Details
Main Authors: Smalo, H.S., Astrand, P.-O., Ingebrigtsen, S.
Format: Conference Proceeding
Language:English
Subjects:
Discrete Fourier transforms
Electric potential
Geometry
Ionization
IP networks
Optimization
Stationary state
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Summary:We have compared three different methods for calculating the ionization potential and electron affinities for typical molecules used in streamer propagation studies. The calculation of the ionization potential is straightforward. The electron affinities are more difficult to calculate and we discuss the reason for these problems.
ISSN:2153-3725
2153-3733
DOI:10.1109/ICDL.2008.4622536