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The Journal of Chemical Physics|December 3, 2008
Potential energy surface for interactions between two hydrogen moleculesKonrad Patkowski, Wojciech Cencek, Piotr Jankowski, et al.The Journal of Physical Chemistry. A|January 31, 2014
Highly correlated electronic structure calculations of the He-C3 van der Waals complex and collision-induced rotational transitions of C3Daniel G A Smith, Konrad Patkowski, Duy Trinh, 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.Pageof 5