156 citations · 157 across the 3 of their papers we have counts for
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physics.chem-ph2005
Geometry Optimization of Crystals by the Quasi-Independent Curvilinear Coordinate Approximation
Karoly Nemeth, Matt Challacombe
The quasi-independent curvilinear coordinate approximation (QUICCA) method [K. Németh and M. Challacombe, J. Chem. Phys. {\bf 121}, 2877, (2004)] is extended to the optimization of…
physics.comp-ph2005
Non-Orthogonal Density Matrix Perturbation Theory
Anders M. N. Niklasson, Valery Weber, Matt Challacombe
Density matrix perturbation theory [Phys. Rev. Lett. Vol. 92, 193001 (2004)] provides an efficient framework for the linear scaling computation of response properties [Phys. Rev. L…