HAL will be down for maintenance from Friday, June 10 at 4pm through Monday, June 13 at 9am. More information
Skip to Main content Skip to Navigation
Journal articles

Interpretation of the reduced density gradient

Abstract : An interpretation of the reduced density gradient in terms of the bosonic kinetic energy density is presented. Contrary to other bonding indicators based on the kinetic energy density such as the localised orbital locator (LOL) or the electron localization function (ELF), the reduced density gradient is not only able to identify covalent bondings, but also ionic and non-covalent interactions. This study reveals that the critical points of the reduced density gradient are closely connected with those of LOL and with the roots of the one-electron potential (OEP).
Document type :
Journal articles
Complete list of metadata

Cited literature [29 references]  Display  Hide  Download

Contributor : Gestionnaire Hal-Upmc Connect in order to contact the contributor
Submitted on : Monday, January 11, 2016 - 3:01:28 PM
Last modification on : Thursday, March 31, 2022 - 8:20:03 AM
Long-term archiving on: : Tuesday, April 12, 2016 - 11:21:05 AM


Files produced by the author(s)



Roberto A. Boto, Julia Contreras-García, Julien Tierny, Jean-Philip Piquemal. Interpretation of the reduced density gradient. Molecular Physics, Taylor & Francis, 2015, pp.1-9. ⟨10.1080/00268976.2015.1123777⟩. ⟨hal-01253888⟩



Record views


Files downloads