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Matter Modeling
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ironmanaudi's user avatar
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ironmanaudi
  • Member for 3 years, 7 months
  • Last seen more than a month ago
  • China
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How are 1-electron and 2-electron integrals done in PySCF?
Feb 5, 2021
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10
Molecular orbitals and active space
Aug 8, 2021
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Molecular geometry optimization for cyclooctatetraene with pyscf
Apr 29, 2022
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How are 1-electron and 2-electron integrals done in PySCF?
Apr 30, 2022
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Molecular orbitals in Qiskit