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Quasiparticle wave function and its equation of motion
Department of Physics, Division of Mathematical Physics, Lund University, Sweden ; LINXS Institute of advanced Neutron and X-ray Science, Lund, Sweden.
University of Skövde, School of Engineering Science. University of Skövde, Virtual Engineering Research Environment. (Physics and Mathematics)ORCID iD: 0000-0002-7023-4043
2025 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 111, no 7, article id 075139Article in journal (Refereed) Published
Abstract [en]

The quasiparticle wave function of a many-electron system is traditionally defined as the eigenfunction of the quasiparticle eigenvalue equation involving the self-energy. In this article a different concept of a quasiparticle wave function is derived from the general definition of the Green's function without reference to self-energy. The proposed quasiparticle wave function can decay in time, and in contrast to the traditional one it contains not only the main quasiparticle mode but also other modes due to coupling to collective excitations in the system. In the recently developed dynamical exchange-correlation potential formalism, this definition of a quasiparticle wave function leads to an equation of motion with an effective field, which appears to have a simple form expected to be amenable to realistic approximations. A simple model for the effective potential is proposed which is suitable for materials whose valence electrons are dominated by itinerant 𝑠−𝑝 electrons such as simple metals.

Place, publisher, year, edition, pages
American Physical Society, 2025. Vol. 111, no 7, article id 075139
Keywords [en]
Band structure methods, Density functional theory, First-principles calculations, Green's function methods
National Category
Condensed Matter Physics
Research subject
Physics and Mathematics
Identifiers
URN: urn:nbn:se:his:diva-24909DOI: 10.1103/PhysRevB.111.075139ISI: 001492750900002Scopus ID: 2-s2.0-85218351430OAI: oai:DiVA.org:his-24909DiVA, id: diva2:1938592
Funder
Swedish Research Council, 2021_04498Carl Tryggers foundation , CTS 23:2419
Note

CC BY 4.0

Financial support from the Swedish Research Council (Vetenskapsrådet, VR, Grant No. 2021_04498) and Carl Tryggers Stiftelse (CTS 23:2419) is gratefully acknowledged. We thank R. Godby for valuable discussions.

Available from: 2025-02-18 Created: 2025-02-18 Last updated: 2025-09-29Bibliographically approved

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Karlsson, Krister

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