ListarArticles publicats (D-Q) por tema "Atoms"

The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules

One- and two-center energy components in the atoms in molecules theory

Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory

Energy partitioning for "fuzzy" atoms

Artículo open access ​

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One- and two-center physical space partitioning of the energy in the density functional theory

Artículo open access ​

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Two complementary molecular energy decomposition schemes: the Mayer and Ziegler-Rauk methods in comparison

Effective atomic orbitals for fuzzy atoms

Artículo open access ​

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Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms

Artículo embargoed access ​

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A Simple Local Correlation Energy Functional for Spherically Confined Atoms from ab Initio Correlation Energy Density

Artículo embargoed access ​

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