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Sirianni Lab @ Daemen University

Psi4 1.4: Open-source software for high-throughput quantum chemistry


Journal article


Daniel G A Smith, Lori A Burns, Andrew C Simmonett, Robert M Parrish, Matthew C Schieber, Raimondas Galvelis, Peter Kraus, Holger Kruse, Roberto Di Remigio, Asem Alenaizan, Andrew M James, Susi Lehtola, Jonathon P Misiewicz, Maximilian Scheurer, Robert A Shaw, Jeffrey B Schriber, Yi Xie, Zachary L Glick, Dominic A Sirianni, Joseph Senan O'Brien, Jonathan M Waldrop, Ashutosh Kumar, Edward G Hohenstein, Benjamin P Pritchard, Bernard R Brooks, Henry F Schaefer, Alexander Yu Sokolov, Konrad Patkowski, A Eugene DePrince, Ugur Bozkaya, Rollin A King, Francesco A Evangelista, Justin M Turney, T Daniel Crawford, C David Sherrill
J. Chem. Phys., vol. 152(18), 2020, p. 184108


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APA   Click to copy
Smith, D. G. A., Burns, L. A., Simmonett, A. C., Parrish, R. M., Schieber, M. C., Galvelis, R., … Sherrill, C. D. (2020). Psi4 1.4: Open-source software for high-throughput quantum chemistry. J. Chem. Phys., 152(18), 184108. https://doi.org/10.1063/5.0006002


Chicago/Turabian   Click to copy
Smith, Daniel G A, Lori A Burns, Andrew C Simmonett, Robert M Parrish, Matthew C Schieber, Raimondas Galvelis, Peter Kraus, et al. “Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry.” J. Chem. Phys. 152, no. 18 (2020): 184108.


MLA   Click to copy
Smith, Daniel G. A., et al. “Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry.” J. Chem. Phys., vol. 152, no. 18, 2020, p. 184108, doi:10.1063/5.0006002.


BibTeX   Click to copy

@article{smith2020a,
  title = {Psi4 1.4: Open-source software for high-throughput quantum chemistry},
  year = {2020},
  issue = {18},
  journal = {J. Chem. Phys.},
  pages = {184108},
  volume = {152},
  doi = {10.1063/5.0006002},
  author = {Smith, Daniel G A and Burns, Lori A and Simmonett, Andrew C and Parrish, Robert M and Schieber, Matthew C and Galvelis, Raimondas and Kraus, Peter and Kruse, Holger and Di Remigio, Roberto and Alenaizan, Asem and James, Andrew M and Lehtola, Susi and Misiewicz, Jonathon P and Scheurer, Maximilian and Shaw, Robert A and Schriber, Jeffrey B and Xie, Yi and Glick, Zachary L and Sirianni, Dominic A and O'Brien, Joseph Senan and Waldrop, Jonathan M and Kumar, Ashutosh and Hohenstein, Edward G and Pritchard, Benjamin P and Brooks, Bernard R and Schaefer, Henry F and Sokolov, Alexander Yu and Patkowski, Konrad and DePrince, A Eugene and Bozkaya, Ugur and King, Rollin A and Evangelista, Francesco A and Turney, Justin M and Crawford, T Daniel and Sherrill, C David}
}


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