4.8k citations · 23.5k across the 67 of their papers we have counts for
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cond-mat.mtrl-sci2000★ 18 cited
Wannier-function description of the electronic polarization and infrared absorption of high-pressure hydrogen
Ivo Souza, Richard M. Martin, Nicola Marzari +2
We have constructed maximally-localized Wannier functions for prototype structures of solid molecular hydrogen under pressure, starting from LDA and tight-binding Bloch wave functi…
cond-mat.mtrl-sci2000★ 146 cited
Compositional Inversion Symmetry Breaking in Ferroelectric Perovskites
Na Sai, B. Meyer, David Vanderbilt
Ternary cubic perovskite compounds of the form A_(1/3)A'_(1/3)A''_(1/3)BO_3 and AB_(1/3)B'_(1/3)B''_(1/3)O_3, in which the differentiated cations form an alternating series of mono…