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Author

Valerii Chuiko

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2 papers indexed here

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Preprint Jul 2026

Towards more accurate natural orbital functional approximations: including 4-index cumulant contributions

Accurate modeling of bond breaking remains a central challenge for reduced density matrix functional theory (RDMFT). Although some modern functionals can yield reasonably accurate dissociation energies, they often fail to reproduce key properties of the dissociated fragments, such as a vanishing fragment population cov...

Valerii Chuiko, Paul W Ayers, E. Matito · 0 citations
Aug 2026

Toward more accurate natural orbital functional approximations: Including 4-index cumulant contributions.

Accurate modeling of bond breaking remains a central challenge for reduced density matrix functional theory (RDMFT). Although some modern functionals can yield reasonably accurate dissociation energies, they often fail to reproduce key properties of the dissociated fragments, such as a vanishing fragment population cov...

Valerii Chuiko, P. W. Ayers, E. Matito · 0 citations

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