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• W1966980139 abstract "An appealing way to model electron correlation within the single determinant wave function formalism is through the expectation value of a linear two-electron operator. For practical reasons, it is desirable for such an operator to be universal, i.e., not depend on the positions and types of nuclei in a molecule. We show how a perturbation theory applied to a hookium atom provides for a particular form of a correlation operator, hence called the harmonic correlation operator. The correlation operator approach is compared and contrasted to the traditional ways to describe electron correlation. To investigate the two-electron approximation of this operator, we apply it to many-electron hookium systems. To investigate the harmonic approximation, we apply it to the small atomic systems. Directions of future research are also discussed." @default.
• W1966980139 created "2016-06-24" @default.
• W1966980139 creator A5033284516 @default.
• W1966980139 date "2011-07-20" @default.
• W1966980139 modified "2023-10-16" @default.
• W1966980139 title "Harmonic electron correlation operator" @default.
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• W1966980139 doi "https://doi.org/10.1063/1.3610392" @default.
• W1966980139 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21786991" @default.
• W1966980139 hasPublicationYear "2011" @default.
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