Local and global interpolations along the adiabatic connection of DFT: a study at different correlation regimes

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Local and global interpolations along the adiabatic connection of DFT: a study at different correlation regimes

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im November 2018 veröffentlichter wissenschaftlicher Artikel

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scientific article published on 03 November 2018

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wetenschappelijk artikel

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наукова стаття, опублікована в листопаді 2018

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Local and global interpolation ...... different correlation regimes

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Local and global interpolation ...... different correlation regimes

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Local and global interpolation ...... different correlation regimes

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Local and global interpolation ...... different correlation regimes

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Local and global interpolation ...... different correlation regimes

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Local and global interpolation ...... different correlation regimes

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Local and global interpolation ...... different correlation regimes

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Derk P Kooi

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Paola Gori-Giorgi

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P2860

Generalized Gradient Approximation Made Simple

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Local hybrid functionals with an explicit dependence on spin polarization.

Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem.

Semiempirical hybrid density functional with perturbative second-order correlation.

Exchange-Correlation Functionals via Local Interpolation along the Adiabatic Connection

Properties of harmonium atoms from FCI calculations: Calibration and benchmarks for the ground state of the two-electron species.

Simple Fully Nonlocal Density Functionals for Electronic Repulsion Energy.

Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT.

Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT.

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s00214-018-2354-5

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166

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scholarly article

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10.1007/S00214-018-2354-5

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P433

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P478

137

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2018-11-03T00:00:00Z

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30464722

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6223841

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