this is for holding javascript data
David Koes edited ABINIT_cite_Gonze_2009_is_a__.tex
about 8 years ago
Commit id: 5cefb10bcbd0459ab73787d926512d19b3260d83
deletions | additions
diff --git a/ABINIT_cite_Gonze_2009_is_a__.tex b/ABINIT_cite_Gonze_2009_is_a__.tex
index 7909035..985c309 100644
--- a/ABINIT_cite_Gonze_2009_is_a__.tex
+++ b/ABINIT_cite_Gonze_2009_is_a__.tex
...
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.