most citedAn ab-initio converse NMR approach for pseudopotentials

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cond-mat.mtrl-sci2010★ 31 cited

An ab-initio converse NMR approach for pseudopotentials

D. Ceresoli, N. Marzari, G. Lopez +1

We extend the recently developed converse NMR approach [T. Thonhauser, D. Ceresoli, A. Mostofi, N. Marzari, R. Resta, and D. Vanderbilt, J. Chem. Phys. \textbf{131}, 101101 (2009)]…