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Electronic Loge Localized Functions for Be

Authors: Eduardo V. Ludeña; Viviana Amzel;

Electronic Loge Localized Functions for Be

Abstract

A model of complete loge localization is employed in the description of the electronic ground state wavefunction of the beryllium atom. The formal construction of loge localized functions by means of projection operators is discussed. The integrals over loge localized orbitals are approximated by integrals over Hartree–Fock (SCF) and Edmiston–Ruedenberg orbitals where the limits of integration have been modified to those of the loge boundaries. The loge localized function used here corresponds to a projected single Slater determinant. The corresponding value for the energy is found to be lower than the Hartree–Fock energy. This fact seems to indicate that the model employed in the present work, besides introducing considerable simplifications, is in addition, physically plausible.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
14
Average
Top 10%
Top 10%
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