Zobrazeno 1 - 10
of 174
pro vyhledávání: '"Jeziorski, Bogumil"'
Autor:
Garberoglio, Giovanni, Harvey, Allan H., Lang, Jakub, Przybytek, Michal, Lesiuk, Michal, Jeziorski, Bogumil
Publikováno v:
J. Chem. Phys. 161, 144111 (2024)
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 the third dielectric virial coefficient, $C_\varepsilon$, for both $^4$
Externí odkaz:
http://arxiv.org/abs/2408.03176
Autor:
Lesiuk, Michał, Jeziorski, Bogumił
Publikováno v:
Phys. Rev. A 109, 012820 (2024)
We report theoretical calculations of the static diamagnetic susceptibility, $\chi_0$, of neon and argon atoms. The calculations were performed using a hierarchy coupled-cluster methods combined with application of both the Gaussian and Slater orbita
Externí odkaz:
http://arxiv.org/abs/2311.11357
Publikováno v:
Phys. Rev. A 108, 042812 (2023)
We report theoretical calculations of the diamagnetic susceptibility, $\chi_0$, of helium atom. We determined the complete relativistic correction to $\chi_0$ of the order of $\alpha^4$, where $\alpha$ is the fine structure constant, by including all
Externí odkaz:
http://arxiv.org/abs/2308.04907
Autor:
Garberoglio, Giovanni, Gaiser, Christof, Gavioso, Roberto M., Harvey, Allan H., Hellmann, Robert, Jeziorski, Bogumił, Meier, Karsten, Moldover, Michael R., Pitre, Laurent, Szalewicz, Krzysztof, Underwood, Robin
Publikováno v:
J. Phys. Chem. Ref. Data 52, 031502 (2023)
Recent advances regarding the interplay between ab initio calculations and metrology are reviewed, with particular emphasis on gas-based techniques used for temperature and pressure measurements. Since roughly 2010, several thermophysical quantities
Externí odkaz:
http://arxiv.org/abs/2304.14308
Autor:
Lang, Jakub, Garberoglio, Giovanni, Przybytek, Michal, Jeziorska, Malgorzata, Jeziorski, Bogumil
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 comprises an improved nonrelativistic Born--Oppenheimer energy and the le
Externí odkaz:
http://arxiv.org/abs/2304.07887
Autor:
Lesiuk, Michał, Jeziorski, Bogumił
Publikováno v:
Phys. Rev. A 107, 042805 (2023)
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 means of the dispersion coefficients (Cauchy coefficients) which is s
Externí odkaz:
http://arxiv.org/abs/2301.12502
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 configuration interaction procedure were used to perform required electr
Externí odkaz:
http://arxiv.org/abs/2211.10393
Publikováno v:
J. Chem. Phys. 155, 234103 (2021)
We present the first framework for fully quantum calculation of the third dielectric virial coefficient $C_\varepsilon(T)$ of noble gases, including exchange effects. The quantum effects are taken into account with the path-integral Monte Carlo metho
Externí odkaz:
http://arxiv.org/abs/2111.02691
Autor:
Czachorowski, Paweł, Przybytek, Michał, Lesiuk, Michał, Puchalski, Mariusz, Jeziorski, Bogumił
Publikováno v:
Phys. Rev. A 102, 042810 (2020)
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 accurate nonrelativistic interaction potential [M. Przybytek et al., Phys. R
Externí odkaz:
http://arxiv.org/abs/2007.09767
Publikováno v:
Phys. Rev. A 102, 052816 (2020)
We report theoretical determination of the dipole polarizability of the neon atom, including its frequency dependence. Corrections for the relativistic, quantum electrodynamics, finite nuclear mass, and finite nuclear size effects are taken into acco
Externí odkaz:
http://arxiv.org/abs/2006.15448