Four-Dimensional Scaling of Dipole Polarizability in Quantum Systems.


Journal

Physical review letters
ISSN: 1079-7114
Titre abrégé: Phys Rev Lett
Pays: United States
ID NLM: 0401141

Informations de publication

Date de publication:
18 Feb 2022
Historique:
received: 22 10 2020
accepted: 21 01 2022
entrez: 4 3 2022
pubmed: 5 3 2022
medline: 5 3 2022
Statut: ppublish

Résumé

Polarizability is a key response property of physical and chemical systems, which has an impact on intermolecular interactions, spectroscopic observables, and vacuum polarization. The calculation of polarizability for quantum systems involves an infinite sum over all excited (bound and continuum) states, concealing the physical interpretation of polarization mechanisms and complicating the derivation of efficient response models. Approximate expressions for the dipole polarizability, α, rely on different scaling laws α∝R^{3}, R^{4}, or R^{7}, for various definitions of the system radius R. Here, we consider a range of single-particle quantum systems of varying spatial dimensionality and having qualitatively different spectra, demonstrating that their polarizability follows a universal four-dimensional scaling law α=C(4μq^{2}/ℏ^{2})L^{4}, where μ and q are the (effective) particle mass and charge, C is a dimensionless excitation-energy ratio, and the characteristic length L is defined via the L^{2} norm of the position operator. This unified formula is also applicable to many-particle systems, as shown by accurately predicting the dipole polarizability of 36 atoms, 1641 small organic molecules, and Bloch electrons in periodic systems.

Identifiants

pubmed: 35244434
doi: 10.1103/PhysRevLett.128.070602
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

070602

Auteurs

Péter Szabó (P)

Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.

Szabolcs Góger (S)

Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.

Jorge Charry (J)

Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.

Mohammad Reza Karimpour (MR)

Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.

Dmitry V Fedorov (DV)

Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.

Alexandre Tkatchenko (A)

Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.

Classifications MeSH