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Since we already have an intuitive API for Mulliken-partitioning one-electron operators, we could think about implementing two-electron Mulliken partitioning.
This would allow:
Energy decompositions (i.e. Mulliken-partitioning of the Hamiltonian)
This discussion was converted from issue #779 on December 11, 2020 09:32.
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Since we already have an intuitive API for Mulliken-partitioning one-electron operators, we could think about implementing two-electron Mulliken partitioning.
This would allow:
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