211 citations · 958 across the 23 of their papers we have counts for
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cond-mat1994★ 211 cited
Generalization of the density-matrix method to a non-orthogonal basis
R. W. Nunes, David Vanderbilt
We present a generalization of the Li, Nunes and Vanderbilt density-matrix method to the case of a non-orthogonal set of basis functions. A representation of the real-space density…
cond-mat1994★ 111 cited
Real-space approach to calculation of electric polarization and dielectric constants
R. W. Nunes, David Vanderbilt
We describe a real-space approach to the calculation of the properties of an insulating crystal in an applied electric field, based on the iterative determination of the Wannier fu…