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The Journal of Chemical Physics|January 7, 2005
HEAT: High accuracy extrapolated ab initio thermochemistryAttila Tajti, Péter G Szalay, Attila G Császár, et al.Physical Chemistry Chemical Physics : PCCP|October 22, 2020
Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computerMario Motta, Tanvi P Gujarati, Julia E Rice, et al.Journal of Computational Chemistry|April 11, 2007
PSI3: an open-source Ab Initio electronic structure packageT Daniel Crawford, C David Sherrill, Edward F Valeev, et al.Nature Communications|April 7, 2023
Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistrySeunghoon Lee, Joonho Lee, Huanchen Zhai, et al.Journal of Chemical Theory and Computation|September 28, 2023
A Perspective on Sustainable Computational Chemistry Software Development and IntegrationRosa Di Felice, Maricris L Mayes, Ryan M Richard, et al.Chemical Reviews|March 31, 2021
From NWChem to NWChemEx: Evolving with the Computational Chemistry LandscapeKarol Kowalski, Raymond Bair, Nicholas P Bauman, et al.Journal of Chemical Theory and Computation|May 11, 2017
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and InteroperabilityRobert M Parrish, Lori A Burns, Daniel G A Smith, et al.Pageof 9