Thierry Leininger

Centre National de la Recherche Scientifique — France

Physics and Astronomy · Physical Sciences

27h-index5.9kcitations132works0.52yr avg
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Research Topics

Advanced Chemical Physics Studies(73), Atomic and Molecular Physics(23), Spectroscopy and Quantum Chemical Studies(20), Quantum, superfluid, helium dynamics(17), Inorganic Fluorides and Related Compounds(16)

Publications132 total

Charge localization in diatomic ions investigated with a new dipole moment driven approach. Test for Ne2+ and (ArNe)+
The Journal of Chemical Physics·2025· 1 citedOpen Access
Tests of Artificial Neural Network-Based Diabatization Approaches on Simple 1D Models
Journal of Chemical Theory and Computation·2025Open Access
Modeling of the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msubsup> <mml:mrow> <mml:mi>N</mml:mi> </mml:mrow> <mml:mn>2</mml:mn> <mml:mo>+</mml:mo> </mml:msubsup> </mml:mrow> </mml:math> ion in cold helium plasma: III. Relaxation of rotational excitations in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msubsup> <mml:mrow> <mml:mi>N</mml:mi> </mml:mrow> <mml:mn>2</mml:mn> <mml:mo>+</mml:mo> </mml:msubsup> </mml:mrow> </mml:math>
Plasma Sources Science and Technology·2025· 1 cited
Cover Feature: Rotational Transitions in the N<sub>2</sub><sup>+</sup> Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study (ChemPhysChem 1/2024)
ChemPhysChem·2024Open Access
Electronic Structure of Pentagonal Carbon Nanocones: An ab Initio Study
The Journal of Physical Chemistry A·2023· 3 citedOpen Access
Rotational Transitions in the N<sub>2</sub><sup>+</sup> Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study
ChemPhysChem·2023· 1 citedOpen Access
Game of basis sets pinpointing charge transfer states: example for LiH
Theoretical Chemistry Accounts·2023· 1 citedOpen Access
Modeling of the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msubsup> <mml:mrow> <mml:mi>N</mml:mi> </mml:mrow> <mml:mn>2</mml:mn> <mml:mo>+</mml:mo> </mml:msubsup> </mml:math> ion in cold helium plasma II: transport properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msubsup> <mml:mrow> <mml:mi>N</mml:mi> </mml:mrow> <mml:mn>2</mml:mn> <mml:mo>+</mml:mo> </mml:msubsup> </mml:math> in helium
Plasma Sources Science and Technology·2023· 3 citedOpen Access
Modeling of the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msubsup> <mml:mrow> <mml:mi>N</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> </mml:mrow> </mml:msubsup> </mml:math> ion in cold helium plasma: dynamics of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msubsup> <mml:mrow> <mml:mi>N</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> </mml:mrow> </mml:msubsup> <mml:mo>/</mml:mo> <mml:mi>H</mml:mi> <mml:mi>e</mml:mi> </mml:math> collisions and cross-sections
Plasma Sources Science and Technology·2022· 5 citedOpen Access
Multilayer Graphtriyne Membranes for Separation and Storage of CO2: Molecular Dynamics Simulations of Post-Combustion Model Mixtures
Molecules·2022· 14 citedOpen Access
Ab initio approaches for <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si96.svg"> <mml:mrow> <mml:msubsup> <mml:mrow> <mml:mi mathvariant="normal">N</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> </mml:mrow> </mml:msubsup> </mml:mrow> </mml:math> and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si97.svg"> <mml:mrow> <mml:msubsup> <mml:mrow> <mml:mi mathvariant="normal">N</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> </mml:mrow> </mml:msubsup> <mml:mo>/</mml:mo> <mml:mi mathvariant="normal">He</mml:mi> </mml:mrow> </mml:math> ions towards modeling of the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si98.svg"> <mml:mrow> <mml:msubsup> <mml:mrow> <mml:mi mathvariant="normal">N</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> </mml:mrow> </mml:msubsup> </mml:mrow> </mml:math> ion in cold helium plasma
Computational and Theoretical Chemistry·2022· 5 citedOpen Access
Toward a Generalized Hückel Rule: The Electronic Structure of Carbon Nanocones
The Journal of Physical Chemistry A·2021· 11 citedOpen Access
Local Orbitals in Quantum Chemistry
Lecture notes in chemistry·2021· 5 citedOpen Access
The nearby magnetic cool DZ white dwarf PM J08186−3110
Monthly Notices of the Royal Astronomical Society·2020· 10 citedOpen Access
Mass-Metallicity Trends in Transiting Exoplanets from Atmospheric Abundances of H2O, Na, and K
2020· 3 citedOpen Access
Mass–Metallicity Trends in Transiting Exoplanets from Atmospheric Abundances of H<sub>2</sub>O, Na, and K
The Astrophysical Journal Letters·2019· 215 citedOpen Access
A Wigner molecule at extremely low densities: a numerically exact study
SciPost Physics Core·2019· 16 citedOpen Access
Report on 1907.02421v2
2019Open Access
Report on 1907.02421v2
2019Open Access
A novel intermolecular potential to describe the interaction between the azide anion and carbon nanotubes
Diamond and Related Materials·2019· 12 citedOpen Access
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Frequent Co-authors

Stefano Evangelisti(15), Florent Xavier Gadéa(10), Hermann Stoll(8), Gian Luigi Bendazzoli(7), Celestino Angeli(5), Hans‐Joachim Werner(5), Muammar El Khatib(5), A S Dickinson(5), Valérie Vallet(4), Wissam Helal(4), Renzo Cimiraglia(3), Andreas Savin(3), Andreas Nicklass(3), Bernd Schimmelpfennig(3), Laurent Maron(3), Christian Teichteil(3), Odd Gropen(3), Ulf Wahlgren(3), Daniel Maynau(3), Stefano Battaglia(3)