Work

The relativistic hydrogen-like atom in a finite magnetic field

Year: 2026

Type: article

Abstract: This work focuses on developing an efficient numerical method to solve the relativistic hydrogen-like atom in a finite magnetic field. To this end, we derive and implement an algorithm based on Gaussian-type orbitals that exploits fermionic symmetry to accelerate the calculations and to distinguish states of different character. This is then used to investigate a novel type of mixing regime between internal and external magnetic interactions. Finally, we assess the implications for the core region of heavy elements, where spin-orbit coupling is much stronger than the effects of external magnetic fields, and the consequences for quantum chemical calculations on heavy atoms in the vicinity of white dwarfs.

Source: Theoretical Chemistry Accounts

DOI: 10.1007/s00214-026-03288-8

Authors: Benedikt Menges, Bang C. Huynh, Lucas Visscher, Ansgar Pausch

Institutions: Vrije Universiteit Amsterdam, University of Oxford

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $3,590

Funders: University of Oxford, Deutsche Forschungsgemeinschaft