Electron localisation function in current-density-functional theory

Electron localisation function in current-density-functional theory

We present a generalisation of the electron localisation function (ELF) to current-density-functional theory as a descriptor for the properties of molecules in the presence of magnetic fields. The resulting current ELF (cELF) is examined for a range of small molecular systems in field strengths up t...

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Bibliographic Details
Main Authors:	Furness, James W., Ekström, Ulf, Helgaker, Trygve, Teale, Andrew M.
Format:	Article
Language:	English
Published:	Taylor & Francis 2016
Online Access:	http://eprints.nottingham.ac.uk/33590/ http://eprints.nottingham.ac.uk/33590/ http://eprints.nottingham.ac.uk/33590/ http://eprints.nottingham.ac.uk/33590/1/mag_ELF.pdf

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