Christophe Iung

Professeur des Universités 1ère Classe

Vice-Président du Conseil des Études et de la Vie Universitaires - UM2
Dynamique Réactionnelle

A propos

Institut Charles Gerhardt Montpellier

Christophe Iung
Permanent - Pr, Equipe D5
ICGM - UMR 5253
CC1501
Place Eugène Bataillon
Bât. 15 - RDC
34095 Montpellier cedex 5

04 67 14 38 83
christophe.iung@univ-montp2.fr

xxxx-présent : ...

Thème de Recherche

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2009

Fabien Gatti and Christophe Iung
Exact and constrained kinetic energy operators for polyatomic molecules, The polyspherical approach,
Phys. Rep.-Rev. Sec. Phys. Lett. 2009, 484, 1-69

2008

Loic Joubert Doriol, Fabien Gatti, Christophe Iung and Hans-Dieter Meyer
Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration time-dependant Hartree method.,
J. Chem. Phys. 2008, 129, 224109
Gauthier Pasin, Christophe Iung, Fabien Gatti, Falk Richter, Céline Léonard and Hans-Dieter Meyer
Theoretical investigation of intramolecular vibrational energy redistribution in HFCO and DFCO induced by an external field,
J. Chem. Phys. 2008, 129, 144304

2007

Christophe Iung and Gauthier Pasin
Variational calculation of Specific, highky excited states in DFCO, comparison with experimental data,
J. Phys. Chem. A 200710426-10433
Gauthier Pasin, Christophe Iung, Fabien Gatti and Hans-Dieter Meyer
Theoretical investigation of highly excited vibrational states in DFCO, Calculation of the out-of-plane bending states and simulation of the intramolecular vibrational energy redistribution,
J. Chem. Phys. 2007, 126, 024302

2006

Christophe Iung, Fabienne Ribeiro and E L. Sibert
Comparison of purtabative and variational treatment of molecular vibrations, Application to the vibrational spectrum of HFCO up to 8000cm^-1,
J. Phys. Chem. A 2006, 110, 5411
Gauthier Pasin, Fabien Gatti, Christophe Iung and Hans-Dieter Meyer
Theoretical investigation of intramolecular vibrational energy redistribution in highly excited HFCO,
J. Chem. Phys. 2006, 124, 194304
Christophe Iung and Fabien Gatti
Polyspherical Parametrization of an N-Atom System, Principles and Applications,
Int. J. Quantum Chem. 2006, 106, 130

2005

Fabienne Ribeiro, Christophe Iung and Claude Leforestier
A Jacobi-Wilson description coupled to a block-Davidson algorithm, An efficient scheme to calculate highly excited vibrational levels,
J. Chem. Phys. 2005, 123, 054106
Christophe Iung and Fabienne Ribeiro
Calculation of specific, highly excited vibrational states based on a Davidson scheme, Application to HFCO,
J. Chem. Phys. 2005, 123, 174105

2003

F. Ribeiro, C. Iung and C. Leforestier
Calculation of selected highly excited vibrational states of polyatomic molecules by the Davidson algorithm,
Journal of Theoretical & Computational Chemistry 2003, 2(4), 609-620

2002

F. Ribeiro, C. Iung and C. Leforestier
Calculation of highly excited vibrational levels, a prediagonalized Davidson scheme,
Chem. Phys. Lett. 2002, 362, 199-204

2001

C. Leforestier, A. Viel, F. Gatti, C. Muñoz and C. Iung
The Jacobi–Wilson method: A new approach to the description of polyatomic molecules,
J. Chem. Phys. 2001, 114, 2099-2105
C. Leforestier, A. Viel, F. Gatti, C. Munoz and C. Iung
The Jacobi-Wilson method, A new approach to the description of polyatomic molecules,
J. Chem. Phys. 2001, 114(1), 2099-2105

1999

F. Gatti, C. Iung, C. Leforestier and X. Chapuisat
Fully coupled 6D calculations of the ammonia vibration-inversion-tunneling states with a split Hamiltonian pseudospectral approach,
J. Chem. Phys. 1999, 111(16), 7236-7243

1998

F. Gatti, C. Iung, C. Leforestier, M. Menou, Y. Justum, A. Nauts and X. Chapuisat
Vector parametrization of the three-atom problem in quantum mechanics,
Theochem-Journal of Molecular Structure 1998, 424(1-2), 181-199

1995

Christophe Iung and Claude Leforestier
Direct calculation of overtones: Application to the CD3H molecule,
J. Chem. Phys. 1995, 102, 8453-8461

1993

Christophe Iung, Claude Leforestier and Robert E. Wyatt
Wave operator and artificial intelligence contraction algorithms in quantum dynamics: Application to CD3H and C6H6,
J. Chem. Phys. 1993, 98, 6722-6734

1992

Christophe Iung and Claude Leforestier
Intramolecular vibrational energy redistribution in the CD3H molecule,
J. Chem. Phys. 1992, 97(4), 2481-2489

1991

Christophe Iung and Claude Leforestier
Vibrational study of the CD3 molecule in the curvilinear formulation,
Chem. Phys. 1991, 155, 369-377
C. Iung and C. Leforestier
Exact Time Evolution Methods for Large Bound Systems,
Computer Physics Communications 1991, 63(1-3), 135-153

Christophe Iung,
Polyspherical Parametrization of a N-atom system : Principles and applications,
«2nd Workshop on High Dimensional quantum dynamics: challenges and opportunities», La Grande Motte, France, 25-28 février 2008,
Christophe Iung, Gauthier Pasin, Fabien Gatti,
Theoretical Study of Specific, Highly Excited States in DFCO,
«ICCMSE 2006 (International Conference of Computational Methods in Sciences and )», Chania (Crête), 24-31 octobre 2006,

Institut Charles Gerhardt Montpellier - Direction

UMR 5253 - CNRS/UM/ENSCM

Pôle Chimie Balard Recherche
CC 043 - 1919 route de Mende
34293 Montpellier cedex 5
Tel: +33 (0)4 67 61 36 14
Email: direction@icgm.fr

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