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PSI4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

Parrish, Robert M.; Burns, Lori A.; Smith, Daniel G. A.; Simmonett, Andrew C.; DePrince, A. Eugene, III; Hohenstein, Edward G.; Bozkaya, Ugur; Sokolov, Alexander Yu.; Di Remigio, Roberto; Richard, Ryan M.; Gonthier, Jerome F.; James, Andrew M.; McAlexander, Harley R.; Kumar, Ashutosh; Saitow, Masaaki; Wang, Xiao; Pritchard, Benjamin P.; Prakash, Verma; Schaefer, Henry F., III; Patkowski, Konrad; Patkowski, Konrad


BibTeX

@article{parrish_robert_m_2017_45127,
  author       = {Parrish, Robert M. and
                  Burns, Lori A. and
                  Smith, Daniel G. A. and
                  Simmonett, Andrew C. and
                  DePrince, A. Eugene, III and
                  Hohenstein, Edward G. and
                  Bozkaya, Ugur and
                  Sokolov, Alexander Yu. and
                  Di Remigio, Roberto and
                  Richard, Ryan M. and
                  Gonthier, Jerome F. and
                  James, Andrew M. and
                  McAlexander, Harley R. and
                  Kumar, Ashutosh and
                  Saitow, Masaaki and
                  Wang, Xiao and
                  Pritchard, Benjamin P. and
                  Prakash, Verma and
                  Schaefer, Henry F., III and
                  Patkowski, Konrad and
                  Patkowski, Konrad},
  title        = {{PSI4 1.1: An Open-Source Electronic Structure 
                   Program Emphasizing Automation, Advanced
                   Libraries, and Interoperability}},
  journal      = {JOURNAL OF CHEMICAL THEORY AND COMPUTATION},
  year         = 2017,
  volume       = 13,
  number       = 7,
  pages        = {3185-3197},
  month        = jan,
}
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