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

scientific article

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1021/ACS.JCTC.8B00286
P698PubMed publication ID29771539

P50authorHenry F. SchaeferQ3123377
Daniel R NascimentoQ62652346
Tyler Y TakeshitaQ86752225
Eugene DeprinceQ88213090
Justin M TurneyQ88256195
Daniel G A SmithQ88713697
Rollin A KingQ88713703
Jeffrey B SchriberQ91191603
Jonathan M WaldropQ91839775
Andrew M JamesQ94945781
Lori A BurnsQ39750123
Konrad PatkowskiQ39750152
Andrew C SimmonettQ47227897
Francesco A EvangelistaQ47895845
David SherrillQ56442166
Eric BerquistQ57610584
Daniel CrawfordQ58685790
Asem AlenaizanQ62650904
Dominic A SirianniQ62650929
Marvin H LechnerQ62652337
P2093author name stringAshutosh Kumar
Tianyuan Zhang
Daniel Neuhauser
Boyi Zhang
Leonardo A Cunha
Adam S Abbott
Alexander G Heide
P2860cites workIPython: A System for Interactive Scientific ComputingQ24492861
P433issue7
P407language of work or nameEnglishQ1860
P921main subjectquantum chemistryQ188403
NumPyQ197520
P6104maintained by WikiProjectWikiProject SoftwareQ15659621
P304page(s)3504-3511
P577publication date2018-06-11
P1433published inJournal of Chemical Theory and ComputationQ1768377
P1476titlePsi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
P478volume14

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cites work (P2860)
Q91722418An adaptive variational algorithm for exact molecular simulations on a quantum computer
Q92054725Classical Pauli repulsion: An anisotropic, atomic multipole model
Q94945792Psi4 1.4: Open-source software for high-throughput quantum chemistry
Q108540453Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics
Q90431845S-H…O and O-H…O hydrogen bonds - comparison of dimers of thiocarboxylic and carboxylic acids

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