28 citations · 98 across the 5 of their papers we have counts for
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Bound and unbound rovibrational states of the methane-argon dimer
Dávid Ferenc, Edit Mátyus
Peculiarities of the intermolecular rovibrational quantum dynamics of the methane-argon complex are studied using a new, ab initio potential energy surface [Y. N. Kalugina, S. E. L…
Non-adiabatic mass correction to the rovibrational states of molecules. Numerical application for the H molecular ion
Edit Mátyus
General transformation expressions of the second-order non-adiabatic Hamiltonian of the atomic nuclei, including the kinetic-energy correction terms, are derived upon the change fr…
Non-adiabatic mass-correction functions and rovibrational states of He ()
Edit Mátyus
The mass-correction functions in the second-order non-adiabatic Hamiltonian are computed for the He molecular ion using the variational method, floating explicitly correl…
On the Calculation of Resonances in Pre-Born-Oppenheimer Molecular Structure Theory
Edit Mátyus
The main motivation for this work is the exploration of rotational-vibrational states corresponding to electronic excitations in a pre-Born-Oppenheimer quantum theory of molecules.…
Explicitly correlated Gaussian functions with shifted-center and projection techniques in pre-Born-Oppenheimer calculations
Andrea Muolo, Edit Mátyus, Markus Reiher
Numerical projection methods are elaborated for the calculation of eigenstates of the non-relativistic many-particle Coulomb Hamiltonian with selected rotational and parity quantum…
Direct computation of the quantum partition function by path-integral nested sampling
Bela Szekeres, Livia B. Partay, Edit Matyus
In the present work we introduce a computational approach to the absolute rovibrational quantum partition function using the path-integral formalism of quantum mechanics in combina…