418 citations · 714 across the 4 of their papers we have counts for
5 papers
Maximally-localized Wannier functions for GW quasiparticles
D. R. Hamann, David Vanderbilt
We review the formalisms of the self-consistent GW approximation to many-body perturbation theory and of the generation of optimally-localized Wannier functions from groups of ener…
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…
Quantitative analysis of the first-principles effective-Hamiltonian approach to ferroelectric perovskites
Silvia Tinte, Jorge Iniguez, Karin M. Rabe +1
The various approximations used in the construction of a first-principles effective Hamiltonian for BaTiO3, and their effects on the calculated transition temperatures, are discuss…