Magnetic-field density-functional theory (BDFT): lessons from the adiabatic connection
We study the effects of magnetic fields in the context of magnetic field density-functional theory (BDFT), where the energy is a functional of the electron density p and the magnetic field B. We show that this approach is a worthwhile alternative to current-density functional theory (CDFT) and may p...
Main Authors: | Reimann, Sarah, Borgoo, Alex, Tellgren, Erik I., Teale, Andrew M., Helgaker, Trygve |
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Format: | Article |
Language: | English |
Published: |
American Chemical Society
2017
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Online Access: | http://eprints.nottingham.ac.uk/44648/ http://eprints.nottingham.ac.uk/44648/ http://eprints.nottingham.ac.uk/44648/ http://eprints.nottingham.ac.uk/44648/1/mag_acpaper.pdf |
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