Density Functional Theory of Highly Excited States of Coulomb Systems
The density functional theory proposed earlier for excited states of Coulomb systems is discussed. The localized Hartree–Fock (LHF) and the Krieger, Li, and Iafrate (KLI) methods combined with correlation are generalized for excited states. Illustrative examples include some highly excited states of...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-06-01
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| Series: | Computation |
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| Online Access: | https://www.mdpi.com/2079-3197/9/6/73 |