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physics.chem-ph2025★ 3 cited
High-Precision Quantum Dynamics of He over the b -c Electronic Subspace by including Non-adiabatic, Relativistic and QED Corrections and Couplings
Balázs Rácsai, Péter Jeszenszki, Ádám Margócsy +1
Relativistic, quantum electrodynamics, as well as non-adiabatic corrections and couplings, are computed for the b and c electronic states of the…
physics.chem-ph2025
Spin-dependent terms of the Breit-Pauli Hamiltonian evaluated with an explicitly correlated Gaussian basis set for molecular computations
Péter Jeszenszki, Péter Hollósy, Ádám Margócsy +1
This work collects the spin-dependent leading-order relativistic and quantum-electrodynamical corrections for the electronic structure of atoms and molecules within the non-relativ…
physics.chem-ph2025
Rovibrational computations for the He a state including non-adiabatic, relativistic, and QED corrections
Ádám Margócsy, Balázs Rácsai, Péter Jeszenszki +1
A potential energy curve (PEC) accurate to a fraction of 1 ppm () is computed for the state of He endowed with relativistic and QED corrections. The…