66 citations · 75 across the 12 of their papers we have counts for
4 papers · 1 filter
Efficient calculation of dispersion energy for multireference systems with Cholesky decomposition. Application to excited-state interactions
Michał Hapka, Agnieszka Krzemińska, Marcin Modrzejewski +2
We propose an algorithm, that scales with the fifth power of the system size, for computing the second-order dispersion energy for monomers described with multiconfigurational wave…
Three-body potential and third virial coefficients for helium including relativistic and nuclear-motion effects
Jakub Lang, Giovanni Garberoglio, Michal Przybytek +2
The non-additive three-body interaction potential for helium was computed using the coupled-cluster theory and the full configuration interaction method. The obtained potential com…
Thermophysical properties of argon gas from improved two-body interaction potential
Jakub Lang, Michal Przybytek, Michal Lesiuk
A new ab initio interaction potential for the electronic ground state of the argon dimer has been developed. The new potential uses previously calculated accurate Born--Oppenheimer…
Ab initio potential energy curves, scattering lengths, and rovibrational levels of the He molecular ion in excited electronic states
Jacek Gȩbala, Michał Przybytek, Marcin Gronowski +1
We calculate accurate potential energy curves for a ground-state He ion interacting with a He atom in the lowest-energy metastable electronic state. We employ the full…