Electron charge dynamics and charge separation: A response theory approach
Lionel Lacombe, Lucia Reining, Vitaly Gorelov
SciPost Phys. 20, 035 (2026) · published 9 February 2026
- doi: 10.21468/SciPostPhys.20.2.035
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Abstract
This study applies response theory to investigate electron charge dynamics, with a particular focus on charge separation. We analytically assess the strengths and limitations of linear and quadratic response theories in describing charge density and current, illustrated by a model that simulates charge transfer systems. While linear response accurately captures optical properties, the quadratic response contains the minimal ingredients required to describe charge dynamics and separation. Notably, it closely matches exact time propagation results in some regime that we identify. We propose and test several approximations to the quadratic response and explore the influence of higher-order terms and the effect of on-site and nearest-neighbour interactions $U$ and $V$.
Authors / Affiliations: mappings to Contributors and Organizations
See all Organizations.- 1 2 3 4 5 6 7 Lionel Lacombe,
- 1 2 3 4 5 6 7 Lucia Reining,
- 1 2 3 4 5 6 7 Vitaly Gorelov
- 1 Commissariat à l'énergie atomique / CEA Saclay [CEA Saclay]
- 2 Centre National de la Recherche Scientifique / French National Centre for Scientific Research [CNRS]
- 3 École Polytechnique
- 4 European Theoretical Spectroscopy Facility [ETSF]
- 5 Institut Polytechnique de Paris / Institut Polytechnique de Paris
- 6 Laboratoire des Solides Irradiés / Irradiated Solids Laboratory [LSI]
- 7 Institut Rayonnement-Matière de Saclay / Institut Rayonnement-Matière de Saclay [IRAMIS]
