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Journal Articles

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, Michał Przybytek, Michał Lesiuk, Bogumił Jeziorski

J. Chem. Phys. 161, 144111 (2024)

https://doi.org/10.1063/5.0232505

Published: October 2024

View article titled, Path-integral calculation of the third dielectric virial coefficient of helium based on ab initio three-body polarizability and dipole surfaces

Journal Articles

Ab Initio Calculation of Fluid Properties for Precision Metrology

Giovanni Garberoglio, Christof Gaiser, Roberto M. Gavioso, Allan H. Harvey, Robert Hellmann, Bogumił Jeziorski, Karsten Meier, Michael R. Moldover, Laurent Pitre, Krzysztof Szalewicz, Robin Underwood

J. Phys. Chem. Ref. Data 52, 031502 (2023)

https://doi.org/10.1063/5.0156293

Published: September 2023

View article titled, Ab Initio Calculation of Fluid Properties for Precision Metrology

Journal Articles

Path-integral calculation of the third dielectric virial coefficient of noble gases

Giovanni Garberoglio, Allan H. Harvey, Bogumił Jeziorski

J. Chem. Phys. 155, 234103 (2021)

https://doi.org/10.1063/5.0077684

Published: December 2021

View article titled, Path-integral calculation of the third dielectric virial coefficient of noble gases

Journal Articles

Exchange splitting of the interaction energy and the multipole expansion of the wave function

Piotr Gniewek, Bogumił Jeziorski

J. Chem. Phys. 143, 154106 (2015)

https://doi.org/10.1063/1.4931809

Published: October 2015

View article titled, Exchange splitting of the interaction energy and the multipole expansion of the wave function

Journal Articles

On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions

Michał Lesiuk, Bogumił Jeziorski, Robert Moszynski

J. Chem. Phys. 139, 134102 (2013)

https://doi.org/10.1063/1.4822045

Published: October 2013

View article titled, On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions

Journal Articles

Effects of adiabatic, relativistic, and quantum electrodynamics interactions on the pair potential and thermophysical properties of helium

Wojciech Cencek, Michał Przybytek, Jacek Komasa, James B. Mehl, Bogumił Jeziorski, Krzysztof Szalewicz

J. Chem. Phys. 136, 224303 (2012)

https://doi.org/10.1063/1.4712218

Published: June 2012

View article titled, Effects of adiabatic, relativistic, and quantum electrodynamics interactions on the pair potential and thermophysical properties of helium

Includes: Supplementary data

Journal Articles

Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes

Piotr S. Żuchowski, Rafał Podeszwa, Robert Moszyński, Bogumił Jeziorski, Krzysztof Szalewicz

J. Chem. Phys. 129, 084101 (2008)

https://doi.org/10.1063/1.2968556

Published: August 2008

View article titled, Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes

Journal Articles

Dispersion energy from density-fitted density susceptibilities of singles and doubles coupled cluster theory

Tatiana Korona, Bogumil Jeziorski

J. Chem. Phys. 128, 144107 (2008)

https://doi.org/10.1063/1.2889006

Published: April 2008

View article titled, Dispersion energy from density-fitted density susceptibilities of singles and doubles coupled cluster theory

Journal Articles

Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data

Małgorzata Jeziorska, Wojciech Cencek, Konrad Patkowski, Bogumił Jeziorski, Krzysztof Szalewicz

J. Chem. Phys. 127, 124303 (2007)

https://doi.org/10.1063/1.2770721

Published: September 2007

View article titled, Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data

Journal Articles

One-electron properties and electrostatic interaction energies from the expectation value expression and wave function of singles and doubles coupled cluster theory

Tatiana Korona, Bogumil Jeziorski

J. Chem. Phys. 125, 184109 (2006)

https://doi.org/10.1063/1.2364489

Published: November 2006

View article titled, One-electron properties and electrostatic interaction energies from the expectation value expression and wave function of singles and doubles coupled cluster theory

Journal Articles

Third-order interactions in symmetry-adapted perturbation theory

Konrad Patkowski, Krzysztof Szalewicz, Bogumił Jeziorski

J. Chem. Phys. 125, 154107 (2006)

https://doi.org/10.1063/1.2358353

Published: October 2006

View article titled, Third-order interactions in symmetry-adapted perturbation theory

Journal Articles

Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations

Alston J. Misquitta, Rafał Podeszwa, Bogumił Jeziorski, Krzysztof Szalewicz

J. Chem. Phys. 123, 214103 (2005)

https://doi.org/10.1063/1.2135288

Published: December 2005

View article titled, Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations

Includes: Supplementary data

Journal Articles

Bounds for the scattering length of spin-polarized helium from high-accuracy electronic structure calculations

Michał Przybytek, Bogumil Jeziorski

J. Chem. Phys. 123, 134315 (2005)

https://doi.org/10.1063/1.2042453

Published: October 2005

View article titled, Bounds for the scattering length of spin-polarized helium from high-accuracy electronic structure calculations

Journal Articles

Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion

Konrad Patkowski, Bogumil Jeziorski, Krzysztof Szalewicz

J. Chem. Phys. 120, 6849–6862 (2004)

https://doi.org/10.1063/1.1676119

Published: April 2004

View article titled, Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion

Journal Articles

Dispersion interaction of high-spin open-shell complexes in the random phase approximation

Piotr S. Żuchowski, Béatrice Bussery-Honvault, Robert Moszynski, Bogumil Jeziorski

J. Chem. Phys. 119, 10497–10511 (2003)

https://doi.org/10.1063/1.1620496

Published: November 2003

View article titled, Dispersion interaction of high-spin open-shell complexes in the random phase approximation

Journal Articles

Symmetry-forcing procedure and convergence behavior of perturbation expansions for molecular interaction energies

Konrad Patkowski, Bogumil Jeziorski, Tatiana Korona, Krzysztof Szalewicz

J. Chem. Phys. 117, 5124–5134 (2002)

https://doi.org/10.1063/1.1499488

Published: September 2002

View article titled, Symmetry-forcing procedure and convergence behavior of perturbation expansions for molecular interaction energies

Journal Articles

Convergence behavior of the symmetry-adapted perturbation theory for states submerged in Pauli forbidden continuum

Konrad Patkowski, Tatiana Korona, Bogumil Jeziorski

J. Chem. Phys. 115, 1137–1152 (2001)

https://doi.org/10.1063/1.1379330

Published: July 2001

View article titled, Convergence behavior of the symmetry-adapted perturbation theory for states submerged in Pauli forbidden continuum

Journal Articles

Density effects in antiprotonic helium

Dimitre Bakalov, Mihail Stoilov, Eugeniya Tchoukova, Bogumil Jeziorski, Tatiana Korona, Krzysztof Szalewicz

AIP Conf. Proc. 564, 51–57 (2001)

https://doi.org/10.1063/1.1374967

Published: April 2001

View article titled, Density effects in antiprotonic helium

Journal Articles

On the optimal choice of monomer geometry in calculations of intermolecular interaction energies: Rovibrational spectrum of Ar–HF from two- and three-dimensional potentials

Malgorzata Jeziorska, Piotr Jankowski, Krzysztof Szalewicz, Bogumil Jeziorski

J. Chem. Phys. 113, 2957–2968 (2000)

https://doi.org/10.1063/1.1287058

Published: August 2000

View article titled, On the optimal choice of monomer geometry in calculations of intermolecular interaction energies: Rovibrational spectrum of Ar–HF from two- and three-dimensional potentials

Journal Articles

Unitary group based open-shell coupled cluster theory: Application to van der Waals interactions of high-spin systems

Piotr Jankowski, Bogumil Jeziorski

J. Chem. Phys. 111, 1857–1869 (1999)

https://doi.org/10.1063/1.479511

Published: August 1999

View article titled, Unitary group based open-shell coupled cluster theory: Application to van der Waals interactions of high-spin systems

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Path-integral calculation of the third dielectric virial coefficient of helium based on ab initio three-body polarizability and dipole surfaces

Ab Initio Calculation of Fluid Properties for Precision Metrology

Path-integral calculation of the third dielectric virial coefficient of noble gases

Exchange splitting of the interaction energy and the multipole expansion of the wave function

On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions

Effects of adiabatic, relativistic, and quantum electrodynamics interactions on the pair potential and thermophysical properties of helium

Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes

Dispersion energy from density-fitted density susceptibilities of singles and doubles coupled cluster theory

Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data

One-electron properties and electrostatic interaction energies from the expectation value expression and wave function of singles and doubles coupled cluster theory

Third-order interactions in symmetry-adapted perturbation theory

Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations

Bounds for the scattering length of spin-polarized helium from high-accuracy electronic structure calculations

Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion

Dispersion interaction of high-spin open-shell complexes in the random phase approximation

Symmetry-forcing procedure and convergence behavior of perturbation expansions for molecular interaction energies

Convergence behavior of the symmetry-adapted perturbation theory for states submerged in Pauli forbidden continuum

Density effects in antiprotonic helium

On the optimal choice of monomer geometry in calculations of intermolecular interaction energies: Rovibrational spectrum of Ar–HF from two- and three-dimensional potentials

Unitary group based open-shell coupled cluster theory: Application to van der Waals interactions of high-spin systems

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