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- PySCF abstract "PySCF is an ab initio computational chemistry program natively implemented in Python program language. The package aims to provide a simple, light-weight and efficient platform for quantum chemistry code developing and calculation. It provides various functions to do the Hartree-Fock, MP2, density functional theory, MCSCF, Coupled Cluster theory at non-relativistic level and 4-component relativistic Hartree-Fock theory. Although most functions are written in Python, the computation critical modules are intensively optimized in C. As a result, the package works as efficient as other C/Fortran based quantum chemistry program. PySCF is developed by Dr. Qiming Sun.".
- PySCF wikiPageExternalLink pyscf.
- PySCF wikiPageExternalLink pyscf.
- PySCF wikiPageID "45327290".
- PySCF wikiPageLength "1110".
- PySCF wikiPageOutDegree "7".
- PySCF wikiPageRevisionID "647849449".
- PySCF wikiPageWikiLink Ab_initio_quantum_chemistry_methods.
- PySCF wikiPageWikiLink Category:Computational_chemistry_software.
- PySCF wikiPageWikiLink Computational_chemistry.
- PySCF wikiPageWikiLink Density_functional_theory.
- PySCF wikiPageWikiLink Hartree–Fock_method.
- PySCF wikiPageWikiLink List_of_quantum_chemistry_and_solid-state_physics_software.
- PySCF wikiPageWikiLink Python_(programming_language).
- PySCF wikiPageWikiLinkText "PySCF".
- PySCF wikiPageUsesTemplate Template:Science-software-stub.
- PySCF wikiPageUsesTemplate Template:Unreferenced.
- PySCF subject Category:Computational_chemistry_software.
- PySCF hypernym Program.
- PySCF type Work.
- PySCF comment "PySCF is an ab initio computational chemistry program natively implemented in Python program language. The package aims to provide a simple, light-weight and efficient platform for quantum chemistry code developing and calculation. It provides various functions to do the Hartree-Fock, MP2, density functional theory, MCSCF, Coupled Cluster theory at non-relativistic level and 4-component relativistic Hartree-Fock theory.".
- PySCF label "PySCF".
- PySCF sameAs Q19599536.
- PySCF sameAs m.012srsx_.
- PySCF sameAs Q19599536.
- PySCF wasDerivedFrom PySCF?oldid=647849449.
- PySCF isPrimaryTopicOf PySCF.