\label{abinitio} Open source quantum chemistry software for performing ab initio calculations.
Name URL License Activity Citation
ABINIT http://www.abinit.org GPL A1 \cite{Gonze_2009}
ACES http://www.qtp.ufl.edu/aces GPL A1 \cite{Lotrich_2008}
BigDFT http://bigdft.org GPL A1 \cite{Mohr_2015}
CP2K http://www.cp2k.org GPL A1 \cite{Hutter_2013}
DACAPO https://wiki.fysik.dtu.dk/dacapo GPL C1 \cite{Bahn_2002}
ErgoSCF http://www.ergoscf.org GPL C2 \cite{Rudberg_2011}
ERKALE https://github.com/susilehtola/erkale GPL B2 \cite{Lehtola_2012}
GPAW https://wiki.fysik.dtu.dk/gpaw GPL A1 \cite{gpaw}
HORTON http://theochem.github.io/horton GPL A1
JANPA http://janpa.sourceforge.net BSD A1 \cite{Nikolaienko_2014}
MPQC http://www.mpqc.org LGPL B1 \cite{Janssen95}
NWChem http://www.nwchem-sw.org ECL A1 \cite{Valiev_2010}
Octopus http://www.tddft.org/programs/octopus GPL A1 \cite{Andrade_2015}
OpenMX http://www.openmx-square.org GPL A1 \cite{Ozaki_2005}
Psi4 http://www.psicode.org GPL A1 \cite{Turney_2011}
pyquante http://sourceforge.net/projects/pyquante BSD A1
PySCF https://github.com/sunqm/pyscf BSD A1
QMCPACK http://qmcpack.org BSD A2 \cite{kim2010quantum}
Quantum espresso http://www.quantum-espresso.org GPL A1 \cite{Giannozzi_2009}
RMG http://rmgdft.sourceforge.net BSD/GPL A1 \cite{moore2012scaling}
SQ https://sites.google.com/site/siamquantum GPL A2