Deriving density-matrix functionals for excited states
We initiate the recently proposed $w$-ensemble one-particle reduced density matrix functional theory ($w$-RDMFT) by deriving the first functional approximations and illustrate how excitation energies can be calculated in practice. For this endeavour, we first study the symmetric Hubbard dimer, const...
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| Format: | Article |
| Language: | English |
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SciPost
2023-05-01
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| Series: | SciPost Physics |
| Online Access: | https://scipost.org/SciPostPhys.14.5.120 |