Local polarization theory for field-induced molecular multipoles
- 1 May 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 72 (9) , 5171-5176
- https://doi.org/10.1063/1.439752
Abstract
We outline an approach based on applying concepts from electrostatic theory locally to the electrons of single molecules and demonstrate that it provides a rigorous and computationally practical method for calculating the multipole moments induced in atoms and molecules by nonuniform electric fields. The theory is applied to the simplest case of a hydrogen atom in inhomogeneous fields. We propose the use of this approach to treat the effects of nonuniform fields in liquids.Keywords
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