Edit M'atyus

collaborators

5 papers

physics.chem-ph2026

Rovibrational computations for He $_{2}^{+}$ X $I^£_{u}^{+}$ including non-adiabatic, relativistic and QED corrections

Edit MÃ¡tyus, ÃdÃ¡m MargÃ³csy

We report the potential energy curve, the diagonal Born-Oppenheimer, non-adiabatic mass, relativistic, and leading-order QED corrections for the ground electronic state of the heli…

physics.chem-ph2026

Rovibrational computations for the He $_{2}$ a $^{3} I^£_{u}^{+}$ state including non-adiabatic, relativistic, and QED corrections

ÃdÃ¡m MargÃ³csy, BalÃ¡zs RÃ¡csai, PÃ©ter Jeszenszki +1

A potential energy curve (PEC) accurate to a fraction of 1 ppm ( $1 : 1 0^{6}$ ) is computed for the $^{3} I^£_{u}^{+}$ state of He $_{2}$ endowed with relativistic and QED corrections. The…

physics.chem-ph2025

High-Precision Quantum Dynamics of He $_{2}$ over the b $^{3} I^_{g}$ -c $^{3} I^£_{g}^{+}$ Electronic Subspace by including Non-adiabatic, Relativistic and QED Corrections and Couplings

BalÃ¡zs RÃ¡csai, PÃ©ter Jeszenszki, ÃdÃ¡m MargÃ³csy +1

Relativistic, quantum electrodynamics, as well as non-adiabatic corrections and couplings, are computed for the b $^{3} I^_{g}$ and c $^{3} I^£_{g}^{+}$ electronic states of t…

physics.chem-ph2025

Spin-dependent terms of the Breit-Pauli Hamiltonian evaluated with an explicitly correlated Gaussian basis set for molecular computations

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 $_{3}^{+}$ with permutationally invariant Pekeris coordinates

Gustavo Avila, Edit MÃ¡tyus

The Pekeris coordinates provide a permutationally invariant set of coordinates for H $_{3}^{+}$ . They are defined as linear combinations of the three internuclear distances that automat…

Rovibrational computations for He2+​ X I^£u+​ including non-adiabatic, relativistic and QED corrections

Rovibrational computations for the He2​ a 3I^£u+​ state including non-adiabatic, relativistic, and QED corrections

High-Precision Quantum Dynamics of He2​ over the b 3I^g​-c 3I^£g+​ Electronic Subspace by including Non-adiabatic, Relativistic and QED Corrections and Couplings

Spin-dependent terms of the Breit-Pauli Hamiltonian evaluated with an explicitly correlated Gaussian basis set for molecular computations

Rovibrational computation of H3+​ with permutationally invariant Pekeris coordinates

Rovibrational computations for He $_{2}^{+}$ X $I^£_{u}^{+}$ including non-adiabatic, relativistic and QED corrections

Rovibrational computations for the He $_{2}$ a $^{3} I^£_{u}^{+}$ state including non-adiabatic, relativistic, and QED corrections

High-Precision Quantum Dynamics of He $_{2}$ over the b $^{3} I^_{g}$ -c $^{3} I^£_{g}^{+}$ Electronic Subspace by including Non-adiabatic, Relativistic and QED Corrections and Couplings

Rovibrational computation of H $_{3}^{+}$ with permutationally invariant Pekeris coordinates