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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.The Journal of Chemical Physics|November 17, 2018
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular scienceAnna Krylov, Theresa L Windus, Taylor Barnes, 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.Journal of Chemical Theory and Computation|May 18, 2018
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid DevelopmentDaniel G A Smith, Lori A Burns, Dominic A Sirianni, et al.The Journal of Chemical Physics|May 17, 2020
Psi4 1.4: Open-source software for high-throughput quantum chemistryDaniel G A Smith, Lori A Burns, Andrew C Simmonett, et al.Physical Chemistry Chemical Physics : PCCP|October 21, 2022
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials scienceAndrew M Teale, Trygve Helgaker, Andreas Savin, et al.Pageof 9