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Tinned: A symbolic library for response theory and high-order derivatives

Bin Gao1

  • 1Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway, Tromsø, Norway.

Journal of Computational Chemistry
|May 23, 2024
PubMed

Keywords:
derivatives of exchange‐correlation energyderivatives of exchange‐correlation potentialresponse theorysymbolic computationsymbolic differentiation

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