418 citations · 714 across the 4 of their papers we have counts for
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A converse approach to the calculation of NMR shielding tensors
T. Thonhauser, D. Ceresoli, Arash A. Mostofi +3
We introduce an alternative approach to the first-principles calculation of NMR shielding tensors. These are obtained from the derivative of the orbital magnetization with respect…
Dichroic f-sum rule and the orbital magnetization of crystals
Ivo Souza, David Vanderbilt
We consider the magnetic circular dichroism spectrum of a crystal with broken time-reversal symmetry in the electric-dipole approximation. Using the Kubo-Greenwood formula for the…
Spectral and Fermi surface properties from Wannier interpolation
Jonathan R. Yates, Xinjie Wang, David Vanderbilt +1
We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of…