Nanochemistry: [ASAP] Pragmatic Improvement of Magnetic Exchange Couplings from Subsystem Density-Functional Theory through Orthogonalization of Subsystem Orbitals

Monday, March 15, 2021

[ASAP] Pragmatic Improvement of Magnetic Exchange Couplings from Subsystem Density-Functional Theory through Orthogonalization of Subsystem Orbitals

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The Journal of Physical Chemistry C

DOI: 10.1021/acs.jpcc.0c10303

from The Journal of Physical Chemistry C: Latest Articles (ACS Publications) https://ift.tt/3vAtRTV
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