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Journal Articles

Collision-induced absorption in Ar–Kr gas mixtures: A molecular dynamics study with new potential and dipole data

Wissam Fakhardji, Péter Szabó, M. S. A. El-Kader, Anastasios Haskopoulos, George Maroulis, Magnus Gustafsson

J. Chem. Phys. 151, 144303 (2019)

https://doi.org/10.1063/1.5099700

Published: October 2019

View articletitled, Collision-induced absorption in Ar–Kr gas mixtures: A molecular dynamics study with new potential and dipole data

Includes: Supplementary data

Journal Articles

Modeling of interaction induced polarizability of H₂-H, numerical analysis

Waldemar Głaz, Anastasios Haskopoulos, George Maroulis, Tadeusz Bancewicz

J. Chem. Phys. 151, 014111 (2019)

https://doi.org/10.1063/1.5100265

Published: July 2019

View articletitled, Modeling of interaction induced polarizability of H2-H, numerical analysis

Journal Articles

Effects of anisotropic interaction-induced properties of hydrogen-rare gas compounds on rototranslational Raman scattering spectra: Comprehensive theoretical and numerical analysis

Waldemar Głaz, Tadeusz Bancewicz, Jean-Luc Godet, Magnus Gustafsson, Anastasios Haskopoulos, George Maroulis

J. Chem. Phys. 145, 034303 (2016)

https://doi.org/10.1063/1.4958339

Published: July 2016

View articletitled, Effects of anisotropic interaction-induced properties of hydrogen-rare gas compounds on rototranslational Raman scattering spectra: Comprehensive theoretical and numerical analysis

Journal Articles

Preface: Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010)

Theodore Simos, George Maroulis

AIP Conf. Proc. 1642, 1 (2015)

https://doi.org/10.1063/1.4906623

Published: January 2015

View articletitled, Preface: Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010)

Journal Articles

Lectures presented at the International Conference on Computational Methods in Science and Engineering (Cos, Greece, 3-8 October 2010)

George Maroulis, Theodore Simos

AIP Conf. Proc. 1642, 5–6 (2015)

https://doi.org/10.1063/1.4906624

Published: January 2015

View articletitled, Lectures presented at the International Conference on Computational Methods in Science and Engineering (Cos, Greece, 3-8 October 2010)

Journal Articles

Preface of the “Computational quantum chemistry and from small clusters to functional building blocks of novel nanomaterials symposium”

George Maroulis, C. Pouchan, D. Xenides, P. Karamanis

AIP Conf. Proc. 1642, 243–244 (2015)

https://doi.org/10.1063/1.4906662

Published: January 2015

View articletitled, Preface of the “Computational quantum chemistry and from small clusters to functional building blocks of novel nanomaterials symposium”

Journal Articles

Intermolecular polarizabilities in H₂-rare-gas mixtures (H₂–He, Ne, Ar, Kr, Xe): Insight from collisional isotropic spectral properties

Waldemar Głaz, Tadeusz Bancewicz, Jean-Luc Godet, Magnus Gustafsson, George Maroulis, Anastasios Haskopoulos

J. Chem. Phys. 141, 074315 (2014)

https://doi.org/10.1063/1.4892864

Published: August 2014

View articletitled, Intermolecular polarizabilities in H2-rare-gas mixtures (H2–He, Ne, Ar, Kr, Xe): Insight from collisional isotropic spectral properties

Journal Articles

Morphology of collisional nonlinear spectra in H₂-Kr and H₂-Xe mixtures

Waldemar Głaz, Tadeusz Bancewicz, Jean-Luc Godet, George Maroulis, Anastasios Haskopoulos

J. Chem. Phys. 138, 124307 (2013)

https://doi.org/10.1063/1.4795438

Published: March 2013

View articletitled, Morphology of collisional nonlinear spectra in H2-Kr and H2-Xe mixtures

Journal Articles

Preface: Lectures Presented at the International Conference on Computational Methods in Science and Engineering (Rhodes, Greece, 29 September - 4 October, 2009)

George Maroulis, Theodore Simos

AIP Conf. Proc. 1504, 1–2 (2012)

https://doi.org/10.1063/1.4772098

Published: December 2012

View articletitled, Preface: Lectures Presented at the International Conference on Computational Methods in Science and Engineering (Rhodes, Greece, 29 September - 4 October, 2009)

Journal Articles

Computational quantum chemistry

George Maroulis

AIP Conf. Proc. 1504, 659 (2012)

https://doi.org/10.1063/1.4771781

Published: December 2012

View articletitled, Computational quantum chemistry

Journal Articles

Computational Quantum Chemistry: From Atoms and Molecules to Clusters and Nano‐objects

George Maroulis, Demetrios Xenides, Panaghiotis Karamanis

AIP Conf. Proc. 1148, 295–296 (2009)

https://doi.org/10.1063/1.3225298

Published: August 2009

View articletitled, Computational Quantum Chemistry: From Atoms and Molecules to Clusters and Nano‐objects

Journal Articles

Collision-induced hyper-Rayleigh spectrum of H 2 – Ar gas mixture

Tadeusz Bancewicz, Waldemar Głaz, Jean-Luc Godet, George Maroulis

J. Chem. Phys. 129, 124306 (2008)

https://doi.org/10.1063/1.2981042

Published: September 2008

View articletitled, Collision-induced hyper-Rayleigh spectrum of H 2 – Ar gas mixture

Journal Articles

How large is the static electric (hyper)polarizability anisotropy in HXeI?

George Maroulis

J. Chem. Phys. 129, 044314 (2008)

https://doi.org/10.1063/1.2960623

Published: July 2008

View articletitled, How large is the static electric (hyper)polarizability anisotropy in HXeI?

Journal Articles

Induced Hyper‐Rayleigh Spectra. Theoretical and Numerical Analysis of Spectral Moments

Waldemar Głaz, Tadeusz Bancewicz, Jean‐Luc Godet, George Maroulis

AIP Conf. Proc. 963, 44–47 (2007)

https://doi.org/10.1063/1.2836109

Published: December 2007

View articletitled, Induced Hyper‐Rayleigh Spectra. Theoretical and Numerical Analysis of Spectral Moments

Journal Articles

The Rodney Bartlett Honor Symposium

George Maroulis, Ajit J. Thakkar, K. J. Murakami

AIP Conf. Proc. 963, 3–5 (2007)

https://doi.org/10.1063/1.2836095

Published: December 2007

View articletitled, The Rodney Bartlett Honor Symposium

Journal Articles

Hyperpolarizability of GaAs dimer is not negative

George Maroulis, Panaghiotis Karamanis, Claude Pouchan

J. Chem. Phys. 126, 154316 (2007)

https://doi.org/10.1063/1.2723116

Published: April 2007

View articletitled, Hyperpolarizability of GaAs dimer is not negative

Journal Articles

Molecular geometry and polarizability of small cadmium selenide clusters from all-electron ab initio and Density Functional Theory calculations

Panaghiotis Karamanis, George Maroulis, Claude Pouchan

J. Chem. Phys. 124, 071101 (2006)

https://doi.org/10.1063/1.2173236

Published: February 2006

View articletitled, Molecular geometry and polarizability of small cadmium selenide clusters from all-electron ab initio and Density Functional Theory calculations

Journal Articles

Bonding and (hyper)polarizability in the sodium dimer

George Maroulis

J. Chem. Phys. 121, 10519–10524 (2004)

https://doi.org/10.1063/1.1812737

Published: December 2004

View articletitled, Bonding and (hyper)polarizability in the sodium dimer

Journal Articles

Accurate dipole polarizabilities of small silicon clusters from ab initio and density functional theory calculations

George Maroulis, Didier Begué, Claude Pouchan

J. Chem. Phys. 119, 794–797 (2003)

https://doi.org/10.1063/1.1576210

Published: July 2003

View articletitled, Accurate dipole polarizabilities of small silicon clusters from ab initio and density functional theory calculations

Journal Articles

Accurate electric multipole moment, static polarizability and hyperpolarizability derivatives for N 2

George Maroulis

J. Chem. Phys. 118, 2673–2687 (2003)

https://doi.org/10.1063/1.1535443

Published: February 2003

View articletitled, Accurate electric multipole moment, static polarizability and hyperpolarizability derivatives for N 2

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Collision-induced absorption in Ar–Kr gas mixtures: A molecular dynamics study with new potential and dipole data

Modeling of interaction induced polarizability of H₂-H, numerical analysis

Effects of anisotropic interaction-induced properties of hydrogen-rare gas compounds on rototranslational Raman scattering spectra: Comprehensive theoretical and numerical analysis

Preface: Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010)

Lectures presented at the International Conference on Computational Methods in Science and Engineering (Cos, Greece, 3-8 October 2010)

Preface of the “Computational quantum chemistry and from small clusters to functional building blocks of novel nanomaterials symposium”

Intermolecular polarizabilities in H₂-rare-gas mixtures (H₂–He, Ne, Ar, Kr, Xe): Insight from collisional isotropic spectral properties

Morphology of collisional nonlinear spectra in H₂-Kr and H₂-Xe mixtures

Preface: Lectures Presented at the International Conference on Computational Methods in Science and Engineering (Rhodes, Greece, 29 September - 4 October, 2009)

Computational quantum chemistry

Computational Quantum Chemistry: From Atoms and Molecules to Clusters and Nano‐objects

Collision-induced hyper-Rayleigh spectrum of H 2 – Ar gas mixture

How large is the static electric (hyper)polarizability anisotropy in HXeI?

Induced Hyper‐Rayleigh Spectra. Theoretical and Numerical Analysis of Spectral Moments

The Rodney Bartlett Honor Symposium

Hyperpolarizability of GaAs dimer is not negative

Molecular geometry and polarizability of small cadmium selenide clusters from all-electron ab initio and Density Functional Theory calculations

Bonding and (hyper)polarizability in the sodium dimer

Accurate dipole polarizabilities of small silicon clusters from ab initio and density functional theory calculations

Accurate electric multipole moment, static polarizability and hyperpolarizability derivatives for N 2

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