Add Builtin LDA Electron-Proton Correlation Functionals #38
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wavefunction91
requested changes
May 2, 2024
…it to automatically generate
wavefunction91
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May 3, 2024
wavefunction91
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May 3, 2024
wavefunction91
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wavefunction91
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May 3, 2024
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This PR added LDA electron-proton correlation functionals and kernels using Builtin backend. These are for nuclear-electronic orbital DFT method.
The functionals include: EPC17-1, EPC17-2, EPC18-1, EPC18-2
This PR partially address #35 by first adding in the LDA epc functionals. The GGA epc functional (epc19) is in preparation and will be merged later.