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Bound-State Relativistic Quantum Electrodynamics: A Perspective for Precision Physics with Atoms and Molecules.

Ádám NonnÁdám MargócsyEdit Mátyus
Published in: Journal of chemical theory and computation (2024)
Precision physics aims to use atoms and molecules to test and develop the fundamental theory of matter, possibly beyond the Standard Model. Most of the atomic and molecular phenomena are described by the quantum electrodynamics (QED) sector of the Standard Model. Do we have the computational tools, algorithms, and practical equations for the most possible complete computation of atoms and molecules within the QED sector? What is the fundamental equation to start with? Is it still Schrödinger's wave equation for molecular matter, or is there anything beyond that? This paper provides a concise overview of the relativistic QED framework and recent numerical developments targeting precision physics and spectroscopy applications with common features of the robust and successful relativistic quantum chemistry methodology.
Keyphrases
  • molecular dynamics
  • single molecule
  • machine learning
  • energy transfer
  • monte carlo
  • high resolution
  • cancer therapy
  • mass spectrometry
  • drug discovery
  • solid state