XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
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Updated
Nov 30, 2022 - C++
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exchange-correlation-functionals
Here are 4 public repositories matching this topic...
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Updated
Oct 23, 2024 - C++
Julia bindings to the libxc library for exchange-correlation functionals
julia
bindings
density-functional-theory
libxc
electronic-structure
exchange-correlation-functionals
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Updated
May 11, 2024 - Julia
Siam Quantum: a compact open-source quantum simulation program
density-functional-theory
quantum-chemistry
hartree-fock
exchange-correlation-functionals
quantum-molecular-dynamics
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Updated
Sep 11, 2023 - C
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