Long-time behaviour of time-dependent density functional theory

DOI10.1007/S00205-021-01656-1zbMATH Open1467.82112arXiv1909.10073OpenAlexW3159838689MaRDI QIDQ2036632FDOQ2036632

I. M. Sigal, Fabio Pusateri

Publication date: 30 June 2021

Published in: Archive for Rational Mechanics and Analysis (Search for Journal in Brave)

Abstract: The density functional theory (DFT) is a remarkably successful theory of electronic structure of matter. At the foundation of this theory lies the Kohn-Sham (KS) equation. In this paper, we describe the long-time behaviour of the time-dependent KS equation. Assuming weak self-interactions, we prove global existence and scattering in (almost) the full "short-range" regime. This is achieved with new and simple techniques, naturally compatible with the structure of the DFT and involving commutator vector fields and non-abelian versions of Sobolev-Klainerman-type spaces and inequalities.

Full work available at URL: https://arxiv.org/abs/1909.10073

zbMATH Keywords

density functional theoryKohn-Sham equation

Mathematics Subject Classification ID

Stability in context of PDEs (35B35) Asymptotic behavior of solutions to PDEs (35B40) Axially symmetric solutions to PDEs (35B07) Blow-up in context of PDEs (35B44) Self-similar solutions to PDEs (35C06) Scattering theory for PDEs (35P25) NLS equations (nonlinear Schrödinger equations) (35Q55) Computational density functional analysis in statistical mechanics (82M36)

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Cited In (7)

• KEY CONCEPTS IN TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY
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