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physics.chem-ph2026
How Atoms Interact Within Molecules
Adil Kabylda, Malte Esders, Matteo Gori +3
Fundamental understanding of interatomic forces in molecules must emerge from quantum mechanics, yet widely used empirical force fields rely on simplified mechanistic approximation…
physics.chem-ph2026
Quantum Field Approaches to Chemical Systems
Reza Karimpour, Matteo Gori, Alexandre Tkatchenko
Quantum-matter theory (QMT), based on the Schrödinger or Dirac equations, is firmly established for both intra- and intermolecular interactions. However, there are two key issues w…