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ACKS2: Atom-condensed Kohn-Sham DFT approximated to second order
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A Khon-Sham-like model for the l-body reduced density matrix from a strongly-correlated reference
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ACKS2: atom-condensed Khon Sham DFT approximated to second order
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The significance of parameters in charge equilibration models
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- Journal Article
- A1
- open access
Communication: Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors
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Uniqueness and basis set dependence of iterative Hirshfeld charges
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Necessary conditions for the N-representability of the second-order reduced density matrix: upper bounds on the P and Q matrices
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Critical thoughts on computing atom condensed Fukui functions
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Critical analysis and extension of the Hirshfeld atoms in molecules
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Quasiparticle properties in sa density-functional framework