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Cumulant Green's function methods for molecules

descriptionPublicationkeyboard_double_arrow_right Article , Preprint 01 Jan 2024Embargo end date: 01 Feb 2024 France English Publisher:Royal Society of Chemistry (RSC)Journal:Faraday Discussions, volume 254, pages 240-260 (issn: 1359-6640, eissn: 1364-5498, Copyright policy )Funded by:EC | PTEROSOR, EC | TREX
Authors: Loos, Pierre-François; Marie, Antoine; Ammar, Abdallah;

doi: 10.1039/d4fd00037d , 10.48550/arxiv.2402.16414

pmid: 39073086

arXiv: 2402.16414

Cumulant Green's function methods for molecules

Abstract

A detailed derivation of cumulant Green’s function methods is presented, and the performance of this scheme in describing outer-valence quasiparticle and satellite energies of molecular systems is explored.

Country
France
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Keywords

Chemical Physics (physics.chem-ph), Condensed Matter - Materials Science, Nuclear Theory, Strongly Correlated Electrons (cond-mat.str-el), Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Nuclear Theory (nucl-th), [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, Condensed Matter - Strongly Correlated Electrons, Physics - Chemical Physics, [PHYS.COND] Physics [physics]/Condensed Matter [cond-mat]

  • BIP!
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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).
    		 5
    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.
    		 Top 10%
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    		 Top 10%
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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!
5
Top 10%
Average
Top 10%
Green
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The European University of Social Sciences