Static treatment of dynamic interactions in the single-orbital Anderson impurity model
Pauli, Anton ; Mishra, Akshat LU
; Rösner, Malte
and van Loon, Erik G.C.P.
LU
(2025)
In Physical Review B
112(19).
p.1-195101
- Abstract
Correlated electron physics is intrinsically a multiscale problem, since high-energy electronic states screen the interactions between the correlated electrons close to the Fermi level, thereby reducing the magnitude of the interaction strength and dramatically shortening its range. Thus the handling of screening is an essential ingredient in the first-principles modeling of correlated electron systems. Screening is an intrinsically dynamic process and the corresponding downfoldingmethods such as the constrained random phase approximation indeed produce a dynamic interaction. However, many low-energy methods require an instantaneous interaction as input, which makes it necessary to map the fully dynamic interaction to an effective... (More)
Correlated electron physics is intrinsically a multiscale problem, since high-energy electronic states screen the interactions between the correlated electrons close to the Fermi level, thereby reducing the magnitude of the interaction strength and dramatically shortening its range. Thus the handling of screening is an essential ingredient in the first-principles modeling of correlated electron systems. Screening is an intrinsically dynamic process and the corresponding downfoldingmethods such as the constrained random phase approximation indeed produce a dynamic interaction. However, many low-energy methods require an instantaneous interaction as input, which makes it necessary to map the fully dynamic interaction to an effective instantaneous interaction strength. It is a priori not clear if and when such an effective model can capture the physics of the one with dynamic interaction and how to best perform the mapping. Here, we provide a systematic benchmark relevant to correlated materials, in the form of the Anderson impurity model. Overall, we find that a static approximation can be valid and that the moment-based approach recently proposed by Scott and Booth can be a good tool to find the value of the static interaction. We also identify physical regimes, especially under doping, where an instantaneous interaction cannot capture all of the relevant physics.
(Less)
- author
- Pauli, Anton
; Mishra, Akshat
LU
; Rösner, Malte
and van Loon, Erik G.C.P.
LU
- organization
- publishing date
- 2025-11-03
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review B
- volume
- 112
- issue
- 19
- pages
- 1 - 195101
- publisher
- American Physical Society
- external identifiers
-
- scopus:105021604277
- ISSN
- 2469-9950
- DOI
- 10.1103/kz4l-h4x8
- language
- English
- LU publication?
- yes
- additional info
- Publisher Copyright: © (2025), (Web Portal American Physical Society). All Rights Reserved.
- id
- 641da84f-cf36-4710-820a-f3889fbcf60b
- date added to LUP
- 2026-01-09 18:00:28
- date last changed
- 2026-01-12 15:09:46
@article{641da84f-cf36-4710-820a-f3889fbcf60b,
abstract = {{<p>Correlated electron physics is intrinsically a multiscale problem, since high-energy electronic states screen the interactions between the correlated electrons close to the Fermi level, thereby reducing the magnitude of the interaction strength and dramatically shortening its range. Thus the handling of screening is an essential ingredient in the first-principles modeling of correlated electron systems. Screening is an intrinsically dynamic process and the corresponding downfoldingmethods such as the constrained random phase approximation indeed produce a dynamic interaction. However, many low-energy methods require an instantaneous interaction as input, which makes it necessary to map the fully dynamic interaction to an effective instantaneous interaction strength. It is a priori not clear if and when such an effective model can capture the physics of the one with dynamic interaction and how to best perform the mapping. Here, we provide a systematic benchmark relevant to correlated materials, in the form of the Anderson impurity model. Overall, we find that a static approximation can be valid and that the moment-based approach recently proposed by Scott and Booth can be a good tool to find the value of the static interaction. We also identify physical regimes, especially under doping, where an instantaneous interaction cannot capture all of the relevant physics.</p>}},
author = {{Pauli, Anton and Mishra, Akshat and Rösner, Malte and van Loon, Erik G.C.P.}},
issn = {{2469-9950}},
language = {{eng}},
month = {{11}},
number = {{19}},
pages = {{1--195101}},
publisher = {{American Physical Society}},
series = {{Physical Review B}},
title = {{Static treatment of dynamic interactions in the single-orbital Anderson impurity model}},
url = {{http://dx.doi.org/10.1103/kz4l-h4x8}},
doi = {{10.1103/kz4l-h4x8}},
volume = {{112}},
year = {{2025}},
}