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Smith DGA, Burns LA, Sirianni DA, et al. Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. J Chem Theory Comput. 2018;14(7):3504-3511doi: 10.1021/acs.jctc.8b00286.
Smith, D. G. A., Burns, L. A., Sirianni, D. A., Nascimento, D. R., Kumar, A., James, A. M., Schriber, J. B., Zhang, T., Zhang, B., Abbott, A. S., Berquist, E. J., Lechner, M. H., Cunha, L. A., Heide, A. G., Waldrop, J. M., Takeshita, T. Y., Alenaizan, A., Neuhauser, D., King, R. A., Simmonett, A. C., Turney, J. M., Schaefer, H. F., Evangelista, F. A., DePrince, A. E., Crawford, T. D., Patkowski, K., & Sherrill, C. D. (2018). Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. Journal of chemical theory and computation, 14(7), 3504-3511. https://doi.org/10.1021/acs.jctc.8b00286
Smith, Daniel G A, et al. "Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development." Journal of chemical theory and computation vol. 14,7 (2018): 3504-3511. doi: https://doi.org/10.1021/acs.jctc.8b00286
Smith DGA, Burns LA, Sirianni DA, Nascimento DR, Kumar A, James AM, Schriber JB, Zhang T, Zhang B, Abbott AS, Berquist EJ, Lechner MH, Cunha LA, Heide AG, Waldrop JM, Takeshita TY, Alenaizan A, Neuhauser D, King RA, Simmonett AC, Turney JM, Schaefer HF, Evangelista FA, DePrince AE, Crawford TD, Patkowski K, Sherrill CD. Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. J Chem Theory Comput. 2018 Jul 10;14(7):3504-3511. doi: 10.1021/acs.jctc.8b00286. Epub 2018 Jun 11. PMID: 29771539.
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