156 citations · 1k across the 39 of their papers we have counts for
Showing 2003 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2003★ 78 cited
Density Matrix Perturbation Theory
Anders M. N. Niklasson, Matt Challacombe
An expansion method for perturbation of the zero temperature grand canonical density matrix is introduced. The method achieves quadratically convergent recursions that yield the re…
cond-mat.mtrl-sci2003★ 53 cited
Ab initio linear scaling response theory: Electric polarizability by perturbed projection
Valery Weber, Anders Niklasson, Matt Challacombe
A linear scaling method for calculation of the static {\em ab inito} response within self-consistent field theory is developed and applied to calculation of the static electric pol…
cond-mat.mtrl-sci2003★ 37 cited
Implicit Purification for Temperature-Dependent Density Matrices
Anders M. N. Niklasson
An implicit purification scheme is proposed for calculation of the temperature-dependent, grand canonical single-particle density matrix, given as a Fermi operator expansion in ter…