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...
| Main Authors: | , , , |
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| Format: | Article |
| Published: |
Taylor & Francis
2016
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| Subjects: | |
| Online Access: | https://eprints.nottingham.ac.uk/33590/ |