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). "Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability"(PDF). Journal of Chemical Theory and Computation. 13 (7): 3185–3197. doi:10.1021/acs.jctc.7b00174. ISSN1549-9618. PMC7495355. PMID28489372.
Turney, Justin M.; Simmonett, Andrew C.; Parrish, Robert M.; Hohenstein, Edward G.; Evangelista, Francesco A.; Fermann, Justin T.; Mintz, Benjamin J.; Burns, Lori A.; Wilke, Jeremiah J.; Abrams, Micah L.; Russ, Nicholas J.; Leininger, Matthew L.; Janssen, Curtis L.; Seidl, Edward T.; Allen, Wesley D.; Schaefer, Henry F.; King, Rollin A.; Valeev, Edward F.; Sherrill, C. David; Crawford, T. Daniel (2012). "Psi4: an open-source ab initio electronic structure program". Wiley Interdisciplinary Reviews: Computational Molecular Science. 2 (4): 556–565. doi:10.1002/wcms.93. ISSN1759-0876. S2CID57101524.
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). "Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability"(PDF). Journal of Chemical Theory and Computation. 13 (7): 3185–3197. doi:10.1021/acs.jctc.7b00174. ISSN1549-9618. PMC7495355. PMID28489372.
Smith, Daniel G. A.; Burns, Lori A.; Simmonett, Andrew C.; Parrish, Robert M.; Schieber, Matthew C.; Galvelis, Raimondas; Kraus, Peter; Kruse, Holger; Di Remigio, Roberto; Alenaizan, Asem; James, Andrew M; Lehtola, Susi; Misiewicz, Jonathon P.; Scheuer, Maximilian; Shaw, Robert A.; Schriber, Jeffrey B.; Xie, Yi; Glick, Zachary L.; Sirianni, Dominic A.; O'Brien, Joseph Senan; Waldrop, Jonathan M.; Kumar, Ashutosh; Hohenstein, Edward G.; Pritchard, Benjamin P.; Brooks, Bernard R.; Schaefer III, Henry F.; Sokolov, Alexander Yu.; Patkowski, Konrad; DePrince, A. Eugene; Bozkaya, Uğur; King, Rollin A.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David (2020). "Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry". Journal of Chemical Physics. 152 (18): 184108. Bibcode:2020JChPh.152r4108S. doi:10.1063/5.0006002. hdl:10138/321376. PMC7228781. PMID32414239.
handle.net
hdl.handle.net
Smith, Daniel G. A.; Burns, Lori A.; Simmonett, Andrew C.; Parrish, Robert M.; Schieber, Matthew C.; Galvelis, Raimondas; Kraus, Peter; Kruse, Holger; Di Remigio, Roberto; Alenaizan, Asem; James, Andrew M; Lehtola, Susi; Misiewicz, Jonathon P.; Scheuer, Maximilian; Shaw, Robert A.; Schriber, Jeffrey B.; Xie, Yi; Glick, Zachary L.; Sirianni, Dominic A.; O'Brien, Joseph Senan; Waldrop, Jonathan M.; Kumar, Ashutosh; Hohenstein, Edward G.; Pritchard, Benjamin P.; Brooks, Bernard R.; Schaefer III, Henry F.; Sokolov, Alexander Yu.; Patkowski, Konrad; DePrince, A. Eugene; Bozkaya, Uğur; King, Rollin A.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David (2020). "Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry". Journal of Chemical Physics. 152 (18): 184108. Bibcode:2020JChPh.152r4108S. doi:10.1063/5.0006002. hdl:10138/321376. PMC7228781. PMID32414239.
harvard.edu
ui.adsabs.harvard.edu
Smith, Daniel G. A.; Burns, Lori A.; Simmonett, Andrew C.; Parrish, Robert M.; Schieber, Matthew C.; Galvelis, Raimondas; Kraus, Peter; Kruse, Holger; Di Remigio, Roberto; Alenaizan, Asem; James, Andrew M; Lehtola, Susi; Misiewicz, Jonathon P.; Scheuer, Maximilian; Shaw, Robert A.; Schriber, Jeffrey B.; Xie, Yi; Glick, Zachary L.; Sirianni, Dominic A.; O'Brien, Joseph Senan; Waldrop, Jonathan M.; Kumar, Ashutosh; Hohenstein, Edward G.; Pritchard, Benjamin P.; Brooks, Bernard R.; Schaefer III, Henry F.; Sokolov, Alexander Yu.; Patkowski, Konrad; DePrince, A. Eugene; Bozkaya, Uğur; King, Rollin A.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David (2020). "Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry". Journal of Chemical Physics. 152 (18): 184108. Bibcode:2020JChPh.152r4108S. doi:10.1063/5.0006002. hdl:10138/321376. PMC7228781. PMID32414239.
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). "Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability"(PDF). Journal of Chemical Theory and Computation. 13 (7): 3185–3197. doi:10.1021/acs.jctc.7b00174. ISSN1549-9618. PMC7495355. PMID28489372.
Smith, Daniel G. A.; Burns, Lori A.; Simmonett, Andrew C.; Parrish, Robert M.; Schieber, Matthew C.; Galvelis, Raimondas; Kraus, Peter; Kruse, Holger; Di Remigio, Roberto; Alenaizan, Asem; James, Andrew M; Lehtola, Susi; Misiewicz, Jonathon P.; Scheuer, Maximilian; Shaw, Robert A.; Schriber, Jeffrey B.; Xie, Yi; Glick, Zachary L.; Sirianni, Dominic A.; O'Brien, Joseph Senan; Waldrop, Jonathan M.; Kumar, Ashutosh; Hohenstein, Edward G.; Pritchard, Benjamin P.; Brooks, Bernard R.; Schaefer III, Henry F.; Sokolov, Alexander Yu.; Patkowski, Konrad; DePrince, A. Eugene; Bozkaya, Uğur; King, Rollin A.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David (2020). "Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry". Journal of Chemical Physics. 152 (18): 184108. Bibcode:2020JChPh.152r4108S. doi:10.1063/5.0006002. hdl:10138/321376. PMC7228781. PMID32414239.
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). "Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability"(PDF). Journal of Chemical Theory and Computation. 13 (7): 3185–3197. doi:10.1021/acs.jctc.7b00174. ISSN1549-9618. PMC7495355. PMID28489372.
Smith, Daniel G. A.; Burns, Lori A.; Simmonett, Andrew C.; Parrish, Robert M.; Schieber, Matthew C.; Galvelis, Raimondas; Kraus, Peter; Kruse, Holger; Di Remigio, Roberto; Alenaizan, Asem; James, Andrew M; Lehtola, Susi; Misiewicz, Jonathon P.; Scheuer, Maximilian; Shaw, Robert A.; Schriber, Jeffrey B.; Xie, Yi; Glick, Zachary L.; Sirianni, Dominic A.; O'Brien, Joseph Senan; Waldrop, Jonathan M.; Kumar, Ashutosh; Hohenstein, Edward G.; Pritchard, Benjamin P.; Brooks, Bernard R.; Schaefer III, Henry F.; Sokolov, Alexander Yu.; Patkowski, Konrad; DePrince, A. Eugene; Bozkaya, Uğur; King, Rollin A.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David (2020). "Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry". Journal of Chemical Physics. 152 (18): 184108. Bibcode:2020JChPh.152r4108S. doi:10.1063/5.0006002. hdl:10138/321376. PMC7228781. PMID32414239.
Turney, Justin M.; Simmonett, Andrew C.; Parrish, Robert M.; Hohenstein, Edward G.; Evangelista, Francesco A.; Fermann, Justin T.; Mintz, Benjamin J.; Burns, Lori A.; Wilke, Jeremiah J.; Abrams, Micah L.; Russ, Nicholas J.; Leininger, Matthew L.; Janssen, Curtis L.; Seidl, Edward T.; Allen, Wesley D.; Schaefer, Henry F.; King, Rollin A.; Valeev, Edward F.; Sherrill, C. David; Crawford, T. Daniel (2012). "Psi4: an open-source ab initio electronic structure program". Wiley Interdisciplinary Reviews: Computational Molecular Science. 2 (4): 556–565. doi:10.1002/wcms.93. ISSN1759-0876. S2CID57101524.
Turney, Justin M.; Simmonett, Andrew C.; Parrish, Robert M.; Hohenstein, Edward G.; Evangelista, Francesco A.; Fermann, Justin T.; Mintz, Benjamin J.; Burns, Lori A.; Wilke, Jeremiah J.; Abrams, Micah L.; Russ, Nicholas J.; Leininger, Matthew L.; Janssen, Curtis L.; Seidl, Edward T.; Allen, Wesley D.; Schaefer, Henry F.; King, Rollin A.; Valeev, Edward F.; Sherrill, C. David; Crawford, T. Daniel (2012). "Psi4: an open-source ab initio electronic structure program". Wiley Interdisciplinary Reviews: Computational Molecular Science. 2 (4): 556–565. doi:10.1002/wcms.93. ISSN1759-0876. S2CID57101524.
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). "Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability"(PDF). Journal of Chemical Theory and Computation. 13 (7): 3185–3197. doi:10.1021/acs.jctc.7b00174. ISSN1549-9618. PMC7495355. PMID28489372.