Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

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Parrish, Robert M., Burns, Lori A., Smith, Daniel G. A., Simmonett, Andrew C., DePrince, A. Eugene, Hohenstein, Edward G., Bozkaya, Uğur, Sokolov, Alexander Yu., Di Remigio, Roberto, Richard, Ryan M., Gonthier, Jérôme F., James, Andrew M., McAlexander, Harley R., Kumar, Ashutosh, Saitow, Masaaki, Wang, Xiao, Pritchard, Benjamin P., Verma, Prakash, Schaefer, Henry F., Patkowski, Konrad, King, Rollin A., Valeev, Edward F., Evangelista, Francesco A., Turney, Justin M., Crawford, T. Daniel, Sherrill, C. David. 2017-06-06. Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability. https://doi.org/10.1021/acs.jctc.7b00174

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