David Koes edited paragraph_textit_Ab_initio_Calcuation__.tex  about 8 years ago

Commit id: 9d4f31746d20cbb61bf4cacfb678a8a2d42081e1

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GPAW \cite{gpaw} is a DFT code that uses the projector-augmented wave (PAW) technique \cite{Bl_chl_1994,Kresse_1999} and integrates with the atomic simulation environment (ASE) \cite{Bahn_2002}.   Helpful HORTON (Helpful  Open-source Research TOol for N-fermion systems (HORTON) systems)  has as a primary design goal ease of extensibility for researching new methods in \textit{ab initio} electronic structure theory. JANPA \cite{Nikolaienko_2014} computes natural atomic orbitals from a reduced one-particle density matrix.