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

Research output: Contribution to JournalArticleAcademicpeer-review

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.

Original languageEnglish
Article number241101
Pages (from-to)1-5
Number of pages5
JournalJournal of Chemical Physics
Volume149
Issue number24
DOIs
Publication statusPublished - 28 Dec 2018

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Density functional theory
communication
Communication
perturbation theory
density functional theory
expansion

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title = "Communication: Strong-interaction limit of an adiabatic connection in Hartree-Fock theory",
abstract = "We show that the leading term in the strong-interaction limit of the adiabatic connection that has as weak-interaction expansion the M{\o}ller-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.",
author = "Michael Seidl and Sara Giarrusso and Stefan Vuckovic and Eduardo Fabiano and Paola Gori-Giorgi",
year = "2018",
month = "12",
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doi = "10.1063/1.5078565",
language = "English",
volume = "149",
pages = "1--5",
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issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
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Communication : Strong-interaction limit of an adiabatic connection in Hartree-Fock theory. / Seidl, Michael; Giarrusso, Sara; Vuckovic, Stefan; Fabiano, Eduardo; Gori-Giorgi, Paola.

In: Journal of Chemical Physics, Vol. 149, No. 24, 241101, 28.12.2018, p. 1-5.

Research output: Contribution to JournalArticleAcademicpeer-review

TY - JOUR

T1 - Communication

T2 - Strong-interaction limit of an adiabatic connection in Hartree-Fock theory

AU - Seidl, Michael

AU - Giarrusso, Sara

AU - Vuckovic, Stefan

AU - Fabiano, Eduardo

AU - Gori-Giorgi, Paola

PY - 2018/12/28

Y1 - 2018/12/28

N2 - 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.

AB - 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.

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