7.7k citations · 13.8k across the 37 of their papers we have counts for
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Orbital magnetization in crystalline solids: Multi-band insulators, Chern insulators, and metals
Davide Ceresoli, T. Thonhauser, David Vanderbilt +1
We derive a multi-band formulation of the orbital magnetization in a normal periodic insulator (i.e., one in which the Chern invariant, or in 2d the Chern number, vanishes). Follow…
Interaction energies of monosubstituted benzene dimers via nonlocal density functional theory
T. Thonhauser, Aaron Puzder, David C. Langreth
We present density-functional calculations for the interaction energy of monosubstituted benzene dimers. Our approach utilizes a recently developed fully nonlocal correlation energ…
Orbital magnetization in periodic insulators
T. Thonhauser, Davide Ceresoli, David Vanderbilt +1
Working in the Wannier representation, we derive an expression for the orbital magnetization of a periodic insulator. The magnetization is shown to be comprised of two contribution…