David Koes edited ABINIT_cite_Gonze_2009_is_a__.tex  about 8 years ago

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ACES \cite{Lotrich_2008} is a collection of programs that perform \textit{ab initio} quantum chemistry calculations such as single point energy calculations, analytical gradients, and analytical Hessians, and is highly parallelized, including support for GPU computing.  A focus of ACES is the use of MBPT and the coupled-cluster approximation to reliable treat electron correlation.  BigDFT \cite{Genovese_2008,Mohr_2014,Mohr_2015} 1performs \textit{ab initio} calculations using Daubechies wavelets and has the capability to use a linear scaling method. Periodic systems, surfaces and isolated systems can be simulated with the proper boundary conditions. It is included as part of ABINIT.