70 citations · 466 across the 21 of their papers we have counts for
21 papers
Path-integral calculation of the third dielectric virial coefficient of helium based on ab initio three-body polarizability and dipole surfaces
Giovanni Garberoglio, Allan H. Harvey, Jakub Lang +3
We develop a surface for the electric dipole moment of three interacting helium atoms and use it, together with state-of-the-art potential and polarizability surfaces, to compute t…
Diamagnetic susceptibility of neon and argon including leading relativistic effects
Michał Lesiuk, Bogumił Jeziorski
We report theoretical calculations of the static diamagnetic susceptibility, , of neon and argon atoms. The calculations were performed using a hierarchy coupled-cluster metho…
Relativistic treatment of diamagnetic susceptibility of helium
Mariusz Puchalski, Michał Lesiuk, Bogumił Jeziorski
We report theoretical calculations of the diamagnetic susceptibility, , of helium atom. We determined the complete relativistic correction to of the order of , wher…
Ab initio Calculation of Fluid Properties for Precision Metrology
Giovanni Garberoglio, Christof Gaiser, Roberto M. Gavioso +8
Recent advances regarding the interplay between ab initio calculations and metrology are reviewed, with particular emphasis on gas-based techniques used for temperature and pressur…
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…
First-principles calculation of the frequency-dependent dipole polarizability of argon
Michał Lesiuk, Bogumił Jeziorski
In this work we report state-of-the-art theoretical calculations of the dipole polarizability of the argon atom. Frequency dependence of the polarizability is taken into account by…
Collision-induced three-body polarizability of helium
Jakub Lang, Michal Lesiuk, Michal Przybytek +1
We present first-principles theoretical determination of the three-body polarizability and the third dielectric virial coefficient of helium. Coupled-cluster theory and the full co…
Path-integral calculation of the third dielectric virial coefficient of noble gases
Giovanni Garberoglio, Allan H. Harvey, Bogumił Jeziorski
We present the first framework for fully quantum calculation of the third dielectric virial coefficient of noble gases, including exchange effects. The quantum e…
Second virial coefficients for helium-4 and helium-3 from accurate relativistic interaction potential
Paweł Czachorowski, Michał Przybytek, Michał Lesiuk +2
The second virial coefficient and the second acoustic virial coefficient for helium-4 and helium-3 are computed for a wide range of temperatures (0.5 - 1000K) using a highly accura…
Theoretical determination of polarizability and magnetic susceptibility of neon
Michał Lesiuk, Michał Przybytek, Bogumił Jeziorski
We report theoretical determination of the dipole polarizability of the neon atom, including its frequency dependence. Corrections for the relativistic, quantum electrodynamics, fi…
QED calculation of the dipole polarizability of helium atom
Mariusz Puchalski, Krzysztof Szalewicz, Michal Lesiuk +1
The QED contribution to the dipole polarizability of the He atom was computed, including the effect of finite nuclear mass. The computationally most challenging contribution of…
Complete basis set extrapolation of electronic correlation energies using the Riemann zeta function
Michał Lesiuk, Bogumił Jeziorski
In this communication we present a method of complete basis set (CBS) extrapolation of correlation energies obtained with a systematic sequence of one-electron basis sets. Instead…
Size consistency and counterpoise correction in explicitly correlated calculations of interaction energies and interaction-induced properties
Michał Lesiuk, Bogumił Jeziorski
Explicitly correlated calculations of interaction energies with wave functions that include all interparticle distances have suffered so far from the lack of size-consistency resul…
Pair potential with submillikelvin uncertainties and nonadiabatic treatment of the halo state of helium dimer
Michal Przybytek, Wojciech Cencek, Bogumil Jeziorski +1
The pair potential for helium has been computed with accuracy improved by an order of magnitude relative to the best previous determination. For the well region, its uncertainties…
Determination of the exchange interaction energy from the polarization expansion of the wave function
Piotr Gniewek, Bogumił Jeziorski
The exchange contribution to the energy of the hydrogen atom interacting with a proton is calculated from the polarization expansion of the wave function using the conventional sur…
Convergence properties of the multipole expansion of the exchange contribution to the interaction energy
Piotr Gniewek, Bogumił Jeziorski
The conventional surface integral formula and an alternative volume integral formula are used to compute the asymptotic exchange splitting of the…
Exchange splitting of the interaction energy and the multipole expansion of the wave function
Piotr Gniewek, Bogumił Jeziorski
The exchange splitting of the interaction energy of the hydrogen atom with a proton is calculated using the conventional surface-integral formula , the vo…
Frequency-dependent polarizability of helium including relativistic effects with nuclear recoil terms
Konrad Piszczatowski, Mariusz Puchalski, Jacek Komasa +2
Future metrology standards will be partly based on physical quantities computed from first principles rather than measured. In particular, a new pressure standard can be establishe…
Calculation of two-centre two-electron integrals over Slater-type orbitals revisited. III. Case study of the beryllium dimer
Michał Lesiuk, Michał Przybytek, Monika Musiał +2
In this paper we present results of ab-initio calculations for the beryllium dimer with basis set of Slater-type orbitals (STOs). Nonrelativistic interaction energy of the system i…
Asymptotics of the exchange splitting energy for a diatomic molecular ion from a volume integral formula of symmetry-adapted perturbation theory
Piotr Gniewek, Bogumił Jeziorski
The exchange splitting energy of the lowest \emph{gerade} and \emph{ungerade} states of the H molecular ion was calculated using a volume integral expression of symmetry-…
On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions
Michał Lesiuk, Bogumił Jeziorski, Robert Moszynski
In currently most popular explicitly correlated electronic structure theories the dependence of the wave function on the interelectronic distance rij is built via the correlation f…