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Multipole Expansion for the Calculation of Field-Dependent Molecular Ionization Potentials

Abstract

The field-dependent ionization potential of six molecules relevant for transformer insulating liquids has been examined by an analytical expression based on a multipole expansion. Molecular properties were calculated by density functional theory at zero field. We found that many molecules are explained well by a classical Frenkel model at low to moderate field strengths. Large molecules and molecules with a significant permanent dipole moment require additional terms, especially the interactions between the electron and the dipole and polarizability of the cation.
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Category

Academic chapter

Language

English

Author(s)

Affiliation

  • SINTEF Energy Research / Elkraftteknologi
  • Norwegian University of Science and Technology

Year

2025

Publisher

IEEE (Institute of Electrical and Electronics Engineers)

Book

2025 IEEE International Conference on Dielectric Liquids - ICDL

ISBN

9781665477581

View this publication at Norwegian Research Information Repository