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Journal Articles

H₂O–HCN complex: A new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations

Patricia Vindel-Zandbergen, Dariusz Kȩdziera, Michał Żółtowski, Jacek Kłos, Piotr Żuchowski, Peter M. Felker, François Lique, Zlatko Bačić

J. Chem. Phys. 159, 174302 (2023)

https://doi.org/10.1063/5.0173751

Published: November 2023

View article titled, H2O–HCN complex: A new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations

Includes: Supplementary data

Journal Articles

Accurate measurement of the loss rate of cold atoms due to background gas collisions for the quantum-based cold atom vacuum standard

Daniel S. Barker, James A. Fedchak, Jacek Kłos, Julia Scherschligt, Abrar A. Sheikh, Eite Tiesinga, Stephen P. Eckel

AVS Quantum Sci. 5, 035001 (2023)

https://doi.org/10.1116/5.0147686

Published: August 2023

View article titled, Accurate measurement of the loss rate of cold atoms due to background gas collisions for the quantum-based cold atom vacuum standard

Journal Articles

Elastic and glancing-angle rate coefficients for heating of ultracold Li and Rb atoms by collisions with room-temperature noble gases, H₂, and N₂

Jacek Kłos, Eite Tiesinga

J. Chem. Phys. 158, 014308 (2023)

https://doi.org/10.1063/5.0124062

Published: January 2023

View article titled, Elastic and glancing-angle rate coefficients for heating of ultracold Li and Rb atoms by collisions with room-temperature noble gases, H2, and N2

Includes: Supplementary data

Journal Articles

Differential cross sections and collision-induced rotational alignment in inelastic scattering of NO(X) by Xe

Mark Brouard, Helen Chadwick, Sean D. S. Gordon, Cornelia G. Heid, Balazs Hornung, Bethan Nichols, Jacek Kłos, Pablo G. Jambrina, F. Javier Aoiz

Chin. J. Chem. Phys. 33, 217–233 (2020)

https://doi.org/10.1063/1674-0068/cjcp2002020

Published: April 2020

View article titled, Differential cross sections and collision-induced rotational alignment in inelastic scattering of NO(X) by Xe

Includes: Supplementary data

Journal Articles

Electrical double layer in molten salts with account of soft repulsions

Jacek Kłos, Stanisław Lamperski

J. Chem. Phys. 150, 184703 (2019)

https://doi.org/10.1063/1.5093198

Published: May 2019

View article titled, Electrical double layer in molten salts with account of soft repulsions

Journal Articles

Accurate characterization of the lowest triplet potential energy surface of SO₂ with a coupled cluster method

Praveen Kumar, Jacek Kłos, Bill Poirier, Millard H. Alexander, Hua Guo

J. Chem. Phys. 150, 144303 (2019)

https://doi.org/10.1063/1.5088959

Published: April 2019

View article titled, Accurate characterization of the lowest triplet potential energy surface of SO2 with a coupled cluster method

Includes: Supplementary data

Journal Articles

Analysis of electrical double layer structure in molten salts

Jacek Kłos, Stanisław Lamperski

J. Chem. Phys. 150, 064704 (2019)

https://doi.org/10.1063/1.5082561

Published: February 2019

View article titled, Analysis of electrical double layer structure in molten salts

Journal Articles

The effect of nonadiabaticity on the C⁺ + HF reaction

Paul J. Dagdigian, Jacek Kłos

J. Chem. Phys. 149, 204309 (2018)

https://doi.org/10.1063/1.5056312

Published: November 2018

View article titled, The effect of nonadiabaticity on the C+ + HF reaction

Includes: Supplementary data

Journal Articles

Experimental and theoretical investigation of the temperature dependent electronic quenching of O(¹D) atoms in collisions with Kr

Dianailys Nuñez-Reyes, Jacek Kłos, Millard H. Alexander, Paul J. Dagdigian, Kevin M. Hickson

J. Chem. Phys. 148, 124311 (2018)

https://doi.org/10.1063/1.5021885

Published: March 2018

View article titled, Experimental and theoretical investigation of the temperature dependent electronic quenching of O(1D) atoms in collisions with Kr

Includes: Supplementary data

Journal Articles

First-principles C band absorption spectra of SO₂ and its isotopologues

Bin Jiang, Praveen Kumar, Jacek Kłos, Millard H. Alexander, Bill Poirier, Hua Guo

J. Chem. Phys. 146, 154305 (2017)

https://doi.org/10.1063/1.4980124

Published: April 2017

View article titled, First-principles C band absorption spectra of SO2 and its isotopologues

Journal Articles

The interaction of NO( X 2 Π ) with H₂: Ab initio potential energy surfaces and bound states

Jacek Kłos, Qianli Ma (马千里), Millard H. Alexander, Paul J. Dagdigian

J. Chem. Phys. 146, 114301 (2017)

https://doi.org/10.1063/1.4977992

Published: March 2017

View article titled, The interaction of NO( X 2 Π ) with H2: Ab initio potential energy surfaces and bound states

Includes: Supplementary data

Journal Articles

Theoretical study of the buffer-gas cooling and trapping of CrH(X⁶Σ⁺) by ³He atoms

Jacek Kłos, Michał Hapka, Grzegorz Chałasiński, Philippe Halvick, Thierry Stoecklin

J. Chem. Phys. 145, 214305 (2016)

https://doi.org/10.1063/1.4968529

Published: December 2016

View article titled, Theoretical study of the buffer-gas cooling and trapping of CrH(X6Σ+) by 3He atoms

Includes: Supplementary data

Journal Articles

Accurate transport properties for O(³P)–H and O(³P)–H₂

Paul J. Dagdigian, Jacek Kłos, Mick Warehime, Millard H. Alexander

J. Chem. Phys. 145, 164309 (2016)

https://doi.org/10.1063/1.4966150

Published: October 2016

View article titled, Accurate transport properties for O(3P)–H and O(3P)–H2

Includes: Supplementary data

Journal Articles

Publisher’s Note: “New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X ̃ 1 A 1 and excited C ̃ 1 B 2 ( 2 1 A ′ ) states of SO₂” [J. Chem. Phys. 144, 174301 (2016)]

Jacek Kłos, Millard H. Alexander, Praveen Kumar, Bill Poirier, Bin Jiang, Hua Guo

J. Chem. Phys. 144, 209901 (2016)

https://doi.org/10.1063/1.4951737

Published: May 2016

View article titled, Publisher’s Note: “New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X ̃ 1 A 1 and excited C ̃ 1 B 2 ( 2 1 A ′ ) states of SO2” [J. Chem. Phys. 144, 174301 (2016)]

Journal Articles

Ab initio studies of the Rg–NO⁺(X¹Σ⁺) van der Waals complexes (Rg = He, Ne, Ar, Kr, and Xe)

Cahit Orek, Jacek Kłos, François Lique, Niyazi Bulut

J. Chem. Phys. 144, 204303 (2016)

https://doi.org/10.1063/1.4950813

Published: May 2016

View article titled, Ab initio studies of the Rg–NO+(X1Σ+) van der Waals complexes (Rg = He, Ne, Ar, Kr, and Xe)

Journal Articles

New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X ̃ 1 A 1 and excited C ̃ 1 B 2 ( 2 1 A ′ ) states of SO₂

Jacek Kłos, Millard H. Alexander, Praveen Kumar, Bill Poirier, Bin Jiang, Hua Guo

J. Chem. Phys. 144, 174301 (2016)

https://doi.org/10.1063/1.4947526

Published: May 2016

View article titled, New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X ̃ 1 A 1 and excited C ̃ 1 B 2 ( 2 1 A ′ ) states of SO2

Journal Articles

Electronic quenching of O(¹D) by Xe: Oscillations in the product angular distribution and their dependence on collision energy

Lauren A. Garofalo, Mica C. Smith, Paul J. Dagdigian, Jacek Kłos, Millard H. Alexander, Kristie A. Boering, Jim Jr-Min Lin

J. Chem. Phys. 143, 054307 (2015)

https://doi.org/10.1063/1.4927705

Published: August 2015

View article titled, Electronic quenching of O(1D) by Xe: Oscillations in the product angular distribution and their dependence on collision energy

Includes: Supplementary data

Journal Articles

Theoretical investigation of the dynamics of O(¹D→³P) electronic quenching by collision with Xe

Paul J. Dagdigian, Millard H. Alexander, Jacek Kłos

J. Chem. Phys. 143, 054306 (2015)

https://doi.org/10.1063/1.4927704

Published: August 2015

View article titled, Theoretical investigation of the dynamics of O(1D→3P) electronic quenching by collision with Xe

Journal Articles

Quantum mechanical calculations of state-to-state cross sections and rate constants for the F + DCl → Cl + DF reaction

Niyazi Bulut, Jacek Kłos, Octavio Roncero

J. Chem. Phys. 142, 214310 (2015)

https://doi.org/10.1063/1.4922110

Published: June 2015

View article titled, Quantum mechanical calculations of state-to-state cross sections and rate constants for the F + DCl → Cl + DF reaction

Journal Articles

Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment

H. Christian Schewe, Qianli Ma (马千里), Nicolas Vanhaecke, Xingan Wang (王兴安), Jacek Kłos, Millard H. Alexander, Sebastiaan Y. T. van de Meerakker, Gerard Meijer, Ad van der Avoird, Paul J. Dagdigian

J. Chem. Phys. 142, 204310 (2015)

https://doi.org/10.1063/1.4921562

Published: May 2015

View article titled, Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment

Includes: Supplementary data

NARROW

Topics

H₂O–HCN complex: A new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations

Accurate measurement of the loss rate of cold atoms due to background gas collisions for the quantum-based cold atom vacuum standard

Elastic and glancing-angle rate coefficients for heating of ultracold Li and Rb atoms by collisions with room-temperature noble gases, H₂, and N₂

Differential cross sections and collision-induced rotational alignment in inelastic scattering of NO(X) by Xe

Electrical double layer in molten salts with account of soft repulsions

Accurate characterization of the lowest triplet potential energy surface of SO₂ with a coupled cluster method

Analysis of electrical double layer structure in molten salts

The effect of nonadiabaticity on the C⁺ + HF reaction

Experimental and theoretical investigation of the temperature dependent electronic quenching of O(¹D) atoms in collisions with Kr

First-principles C band absorption spectra of SO₂ and its isotopologues

The interaction of NO( X 2 Π ) with H₂: Ab initio potential energy surfaces and bound states

Theoretical study of the buffer-gas cooling and trapping of CrH(X⁶Σ⁺) by ³He atoms

Accurate transport properties for O(³P)–H and O(³P)–H₂

Publisher’s Note: “New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X ̃ 1 A 1 and excited C ̃ 1 B 2 ( 2 1 A ′ ) states of SO₂” [J. Chem. Phys. 144, 174301 (2016)]

Ab initio studies of the Rg–NO⁺(X¹Σ⁺) van der Waals complexes (Rg = He, Ne, Ar, Kr, and Xe)

New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X ̃ 1 A 1 and excited C ̃ 1 B 2 ( 2 1 A ′ ) states of SO₂

Electronic quenching of O(¹D) by Xe: Oscillations in the product angular distribution and their dependence on collision energy

Theoretical investigation of the dynamics of O(¹D→³P) electronic quenching by collision with Xe

Quantum mechanical calculations of state-to-state cross sections and rate constants for the F + DCl → Cl + DF reaction

Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment

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