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Sirianni Lab @ Daemen University

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development


Journal article


Daniel G A Smith, Lori A Burns, Dominic A Sirianni, Daniel R Nascimento, Ashutosh Kumar, Andrew M James, Jeffrey B Schriber, Tianyuan Zhang, Boyi Zhang, Adam S Abbott, Eric J Berquist, Marvin H Lechner, Leonardo A Cunha, Alexander G Heide, Jonathan M Waldrop, Tyler Y Takeshita, Asem Alenaizan, Daniel Neuhauser, Rollin A King, Andrew C Simmonett, Justin M Turney, Henry F Schaefer, Francesco A Evangelista, A Eugene DePrince III, T Daniel Crawford, Konrad Patkowski, C David Sherrill
J. Chem. Theory Comput., 2018, pp. 3504-3511

Cite

Cite

APA   Click to copy
Smith, D. G. A., Burns, L. A., Sirianni, D. A., Nascimento, D. R., Kumar, A., James, A. M., … Sherrill, C. D. (2018). Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. J. Chem. Theory Comput., 3504–3511.


Chicago/Turabian   Click to copy
Smith, Daniel G A, Lori A Burns, Dominic A Sirianni, Daniel R Nascimento, Ashutosh Kumar, Andrew M James, Jeffrey B Schriber, et al. “Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.” J. Chem. Theory Comput. (2018): 3504–3511.


MLA   Click to copy
Smith, Daniel G. A., et al. “Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.” J. Chem. Theory Comput., 2018, pp. 3504–11.


BibTeX   Click to copy

@article{smith2018a,
  title = {Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development},
  year = {2018},
  journal = {J. Chem. Theory Comput.},
  pages = {3504-3511},
  author = {Smith, Daniel G A and Burns, Lori A and Sirianni, Dominic A and Nascimento, Daniel R and Kumar, Ashutosh and James, Andrew M and Schriber, Jeffrey B and Zhang, Tianyuan and Zhang, Boyi and Abbott, Adam S and Berquist, Eric J and Lechner, Marvin H and Cunha, Leonardo A and Heide, Alexander G and Waldrop, Jonathan M and Takeshita, Tyler Y and Alenaizan, Asem and Neuhauser, Daniel and King, Rollin A and Simmonett, Andrew C and Turney, Justin M and Schaefer, Henry F and Evangelista, Francesco A and DePrince III, A Eugene and Crawford, T Daniel and Patkowski, Konrad and Sherrill, C David}
}


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