First-principles calculation of NMR parameters using the gauge including projector augmented wave method: a chemist's point of view. by Bonhomme, C, Gervais, C, Babonneau, F, Coelho, C, Pourpoint, F, Azaïs, T, Ashbrook, SE, Griffin, J, Yates, J, Mauri, F, Pickard, C

New perspectives in the PAW/GIPAW approach: J(P-O-Si) coupling constants, antisymmetric parts of shift tensors and NQR predictions. by Bonhomme, C, Gervais, C, Coelho, C, Pourpoint, F, Azaïs, T, Bonhomme-Coury, L, Babonneau, F, Jacob, G, Ferrari, M, Canet, D, Yates, JR, Pickard, C, Joyce, SA, Mauri, F, Massiot, D