Arnaud Leclerc

Documents

Présentation

Maître de conférences

Laboratoire de Physique et Chimie Théoriques

UMR7019 CNRS - Université de Lorraine

Publications

A complex Gaussian representation of continuum wavefunctions respectful of their asymptotic behaviour

Stéphanie Laure Egome Nana , Arnaud Leclerc , Lorenzo Ugo Ancarani

Advances in Quantum Chemistry, 2025, Advances in Quantum Chemistry, 91, pp.95-120. ⟨10.1016/bs.aiq.2025.03.009⟩

Article dans une revue hal-05329647v1

Calculation of electron-impact and photoionization cross sections of methane using analytical Gaussian integrals

Abdallah Ammar , Arnaud Leclerc , Lorenzo Ugo Ancarani

Physical Review A, 2024, 109 (5), pp.052810. ⟨10.1103/PhysRevA.109.052810⟩

Article dans une revue hal-04573842v1

On the use of complex GTOs for the evaluation of radial integrals involving oscillating functions

Abdallah Ammar , Arnaud Leclerc , Lorenzo Ugo Ancarani

Advances in Quantum Chemistry, 2023, Advances in Quantum Chemistry, 88, pp.133-149. ⟨10.1016/bs.aiq.2023.03.002⟩

Article dans une revue hal-04574953v1

A complex Gaussian approach to molecular photoionization

Abdallah Ammar , Lorenzo Ugo Ancarani , Arnaud Leclerc

Journal of Computational Chemistry, 2021, 42 (32), pp.2294-2305. ⟨10.1002/jcc.26760⟩

Article dans une revue hal-03431550v1

Multicenter integrals involving complex Gaussian-type functions

Abdallah Ammar , Arnaud Leclerc , Lorenzo Ugo Ancarani

Advances in Quantum Chemistry, 2021, New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes, 83, pp.287-304. ⟨10.1016/bs.aiq.2021.05.006⟩

Article dans une revue hal-03431538v1

Fitting continuum wavefunctions with complex Gaussians: Computation of ionization cross sections

Abdallah Ammar , Arnaud Leclerc , Lorenzo Ugo U Ancarani

Journal of Computational Chemistry, 2020, 41 (27), pp.2365-2377. ⟨10.1002/jcc.26396⟩

Article dans une revue hal-02923576v1

Calculating eigenvalues and eigenvectors of parameter-dependent hamiltonians using an adaptative wave operator method

Arnaud Leclerc , Georges Jolicard

The Journal of Chemical Physics, 2020, 152 (20), pp.204107. ⟨10.1063/5.0008947⟩

Article dans une revue hal-02636974v1

Fitting Continuum Wave Functions with Complex Gaussians

A Ammar , A Leclerc , Ugo Lorenzo Ancarani

Journal of Physics: Conference Series, 2020, 1412 (15), pp.152079. ⟨10.1088/1742-6596/1412/15/152079⟩

Article dans une revue hal-03603251v1

Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions

Arnaud Leclerc , Phillip Thomas , Tucker Carrington

Molecular Physics, 2017, 115 (15-16), pp.1740-1749. ⟨10.1080/00268976.2016.1249980⟩

Article dans une revue hal-02641234v1

Exotic states in the strong field control of H + 2 dissociation dynamics: From exceptional points to zero-width resonances

Arnaud Leclerc , David Viennot , Georges Jolicard , Roland Lefebvre , Osman Atabek

Journal of Physics B: Atomic, Molecular and Optical Physics, 2017, 50, pp.234002. ⟨10.1088/1361-6455/aa8ca1⟩

Article dans une revue hal-02267422v1

Controlling vibrational cooling with zero-width resonances: an adiabatic Floquet approach

A. Leclerc , D. Viennot , G. Jolicard , R. Lefebvre , O. Atabek

Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2016, 94, pp.043409. ⟨10.1103/PhysRevA.94.043409⟩

Article dans une revue hal-01401600v1

Global integration of the Schrödinger equation within the wave operator formalism: the role of the effective Hamiltonian in multidimensional active spaces

G. Jolicard , A. Leclerc , D. Viennot , J.P. Killingbeck

Journal of Physics A: Mathematical and Theoretical, 2016, 49 (19), pp.195305. ⟨10.1088/1751-8113/49/19/195305⟩

Article dans une revue hal-01317483v1

Using symmetry-adapted optimized sum-of-products basis functions to calculate vibrational spectra

Arnaud Leclerc , Tucker Carrington

Chemical Physics Letters, 2016, 644, pp.183-188. ⟨10.1016/j.cplett.2015.11.057⟩

Article dans une revue hal-02641201v1

Global integration of the Schrödinger equation: a short iterative scheme within the wave operator formalism using discrete Fourier transforms

Arnaud Leclerc , Georges Jolicard

Journal of Physics A: Mathematical and Theoretical, 2015, 48 (22), pp.225205. ⟨10.1088/1751-8113/48/22/225205⟩

Article dans une revue hal-02641194v2

Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices

Arnaud Leclerc , Tucker Carrington

The Journal of Chemical Physics, 2014, 140 (17), pp.174111. ⟨10.1063/1.4871981⟩

Article dans une revue hal-02435817v1

Discussion of the adiabatic hypothesis in control schemes using exceptional points

A. Leclerc , G. Jolicard , J.P. Killingbeck

Journal of Physics B: Atomic and Molecular Physics, 2013, 46 (14), pp.145503. ⟨10.1088/0953-4075/46/14/145503⟩

Article dans une revue hal-00843831v1

Consistency between adiabatic and nonadiabatic geometric phases for nonselfadjoint hamiltonians

D. Viennot , A. Leclerc , G. Jolicard , J.P. Killingbeck

Journal of Physics A General Physics (1968-1972), 2012, 45 (33), pp.335301. ⟨10.1088/1751-8113/45/33/335301⟩

Article dans une revue istex hal-00728276v1

The role of the geometric phases in adiabatic population tracking for non-Hermitian Hamiltonians

A. Leclerc , D. Viennot , G. Jolicard

Journal of Physics A: Mathematical and Theoretical, 2012, 45 (41), pp.415201. ⟨10.1088/1751-8113/45/41/415201⟩

Article dans une revue hal-00745140v1

Constrained adiabatic trajectory method: A global integrator for explicitly time-dependent Hamiltonians

A. Leclerc , G. Jolicard , D. Viennot , J.P. Killingbeck

The Journal of Chemical Physics, 2012, 136 (1), pp.014106. ⟨10.1063/1.3673320⟩

Article dans une revue hal-00672469v1

Development of a general time-dependent absorbing potential for the constrained adiabatic trajectory method

A. Leclerc , G. Jolicard , J.P. Killingbeck

The Journal of Chemical Physics, 2011, 134, pp.194111. ⟨10.1063/1.3592374⟩

Article dans une revue hal-00595337v1

Quantum dynamics by the constrained adiabatic trajectory method

Arnaud Leclerc , Stéphane Guérin , Georges Jolicard , John P Killingbeck

Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2011, 83 (3), ⟨10.1103/PhysRevA.83.032113⟩

Article dans une revue hal-00578514v1

The role of the geometric phases in adiabatic populations tracking for quantum dissipative systems

Arnaud Leclerc , David Viennot , Georges Jolicard

2012

Pré-publication, Document de travail hal-00671360v1

Élaboration d’un propagateur global pour l’équation de Schrödinger & Application à la photodynamique

Arnaud Leclerc

Physique Quantique [quant-ph]. Université de Franche-Comté, 2012. Français. ⟨NNT : 2012BESA2002⟩

Thèse tel-00806956v1

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