Core and valence electrons in atoms and ions: configuration

Desmarais, Normand; Fliszár, Sándor

doi:10.1007/s002140050174

Search citation statements

Order By: Relevance

Paper Sections

Select...

Integrated Electron Density Inside the Electronic Interface1

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2016

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

(1 citation statement)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Although our core electron numbers are away from the values of the ideal shells [68], the relation between core-valence partitioning in the orbital picture and one in real space is not straightforward and whether a partitioning scheme has to be an ideal one is not evident [71]. We believe that our definition of a core region using the electronic interface is worth investigating further, along with other definitions in the literature [69,70,[72][73][74][75][76][77][78][79][80][81][82][83][84][85], for describing chemical bonding and reactions.…”

Section: Integrated Electron Density Inside the Electronic Interfacementioning

confidence: 99%

Theoretical study of atoms by the electronic kinetic energy density and stress tensor density

Nozaki

Ichikawa

Tachibana

2016

Int J of Quantum Chemistry

View full text Add to dashboard Cite

We analyze the electronic structure of atoms in the first, second and third periods using the electronic kinetic energy density and stress tensor density, which are local quantities motivated by quantum field theoretic consideration, specifically the rigged quantum electrodynamics. We compute the zero surfaces of the electronic kinetic energy density, which we call the electronic interfaces, of the atoms. We find that their sizes exhibit clear periodicity and are comparable to the conventional atomic and ionic radii. We also compute the electronic stress tensor density and its divergence, tension density, of the atoms, and discuss how their electronic structures are characterized by them.

show abstract