3 papers
physics.chem-ph2025
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 computation of H with permutationally invariant Pekeris coordinates
Gustavo Avila, Edit Mátyus
The Pekeris coordinates provide a permutationally invariant set of coordinates for H. They are defined as linear combinations of the three internuclear distances that automat…