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Communication: Strong-interaction limit of an adiabatic connection in Hartree-Fock theory

Authors :
Michael Seidl
Sara Giarrusso
Paola Gori-Giorgi
Stefan Vuckovic
Eduardo Fabiano
Theoretical Chemistry
AIMMS
Source :
Journal of Chemical Physics, 149(24):241101, 1-5. American Institute of Physics Publising LLC, Seidl, M, Giarrusso, S, Vuckovic, S, Fabiano, E & Gori-Giorgi, P 2018, ' Communication : Strong-interaction limit of an adiabatic connection in Hartree-Fock theory ', Journal of Chemical Physics, vol. 149, no. 24, 241101, pp. 1-5 . https://doi.org/10.1063/1.5078565, The Journal of Chemical Physics
Publication Year :
2019

Abstract

We show that the leading term in the strong-interaction limit of the adiabatic connection that has as weak-interaction expansion the Møller-Plesset perturbation theory can be fully determined from a functional of the Hartree-Fock density. We analyze this functional and highlight similarities and differences with the strong-interaction limit of the density-fixed adiabatic connection case of Kohn-Sham density functional theory.

Details

ISSN :
10897690 and 00219606
Volume :
149
Issue :
24
Database :
OpenAIRE
Journal :
The Journal of chemical physics
Accession number :
edsair.doi.dedup.....c669f6e67b4dae520f25a1d5984e21a8
Full Text :
https://doi.org/10.1063/1.5078565