Georges Jolicard
University of Franche-Comté
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Featured researches published by Georges Jolicard.
Chemical Physics Letters | 1985
Georges Jolicard; Elizabeth Austin
Abstract A modified version of the stabilisation method of predicting resonance levels for the general one-channel Schrodinger equation is proposed. An absorbing optical potential placed in the asymptotic region increases the stability of the resonance eigenvalues with respect to the basis size. Satisfactory results are obtained for the Hazi-Taylor potential model using a perturbational approach.
Chemical Physics | 1986
Georges Jolicard; Elisabeth J. Austin
Abstract A new method for calculating the energies and widths of quasi-bound levels is presented. This method introduces a trial optical potential in the outer potential region, which suppresses reflections from the artificial “wall” present in a finite basis calculation. The diagonalisation of the resulting complex hamiltonian matrix gives the resonance energy and width directly. An application to the Hazi-Taylor potential model gives satisfactory results with a precision of ≈ 0.01Γ for E res and ≈ 0.05Γ for Γ.
Journal of Chemical Physics | 1988
Georges Jolicard; Claude Leforestier; Elisabeth J. Austin
A previous paper presented the study of resonance states by adding a trial imaginary potential to the Hermitian Hamiltonian and reported results for the Hazi Taylor potential. This study shows that this model can be applied successfully to Feshbach resonances and to broad shape resonances for a spherical van der Waals potential. In the case of shape resonances a nonstationary test takes advantage of the strong dependence of the resonance eigenvalue on the shape of the wall through which the wave function tunnels.
Journal of Chemical Physics | 2002
John P. Killingbeck; Alain Grosjean; Georges Jolicard
Following the attempts by previous authors to construct an effective Morse potential to treat the problem of the Morse potential plus an r−2 term, it is shown that the hypervirial perturbation method, which gives exact results for the Morse potential, also gives results for the perturbed problem which are much more accurate than those of previous authors.
Chemical Physics | 1982
Gert Due Billing; Georges Jolicard
Abstract Comparison between semiclassical and quantum mechanical values for vibrational transitions in collinear collisions is carried out for the systems N2+CO, N2+O2 and H2+H2. Good agreement is obtained for both the harmonic and the Morse oscillator description of the internal states.
Chemical Physics | 1987
Georges Jolicard
Abstract The Bloch effective hamiltonian is calculated within the framework of the adiabatic theorem formalism. A perturbative expansion of the wave operator is derived from a series of suitable intermediate representation leading to a new series whose characteristics are studied and compared to that of the well known Rayleigh-Schrodinger series.
Chemical Physics | 1987
Georges Jolicard; Jeannette Humbert
Abstract The resonances of some one-dimensional systems are studied in the framework of the optical potential model. Analysis of the discrepancies between the observed and exact resonance energy values shows that these differences come from the partial waves reflected upon the optical potential wall. When these disturbing waves have a small amplitude, an autocorrective procedure enables one to accurately determine the resonance energy if one only knows two approximate values of it deduced from a finite representation and the corresponding complex incoming and outgoing wave amplitudes.
Chemical Physics | 1991
Georges Jolicard; Gert Due Billing
Abstract The time-dependent wave operator is used to investigate the wave packet dynamics of an inelastic diatom-atom collinear collision. The energy dependence of the transition probabilities are obtained by comparing the spectra of the quantum flows in the entrance and in the various exit channels.
Chemical Physics Letters | 1999
Vladimir A. Zenevich; Gert Due Billing; Georges Jolicard
Abstract A recently proposed [J. Chem. Phys. 111 (1999) 2401] new semi-classical decoupling procedure for rotational projection states in ro-vibrationally inelastic atom–diatom and diatom–diatom collisions is extended and applied to inelastic collisions in molecular hydrogen. The role of initial rotational excitation of both collision partners in the ro-vibrational transitions, attached to the vibrational (10 → 00) transition in para -H 2 , is analyzed in detail. The computed vibrational self-relaxation rate constant for para -H 2 is in a good quantitative agreement (within a factor of 2) with experimental data over the whole experimentally investigated temperature range, 50–3000 K.
Journal of Physics A | 2001
John P. Killingbeck; Georges Jolicard; Alain Grosjean
A one-parameter family of coordinate transformations is shown to lead to a simple finite difference method which gives highly accurate energies and expectation values for the Schrodinger equation in which the potential consists of a smooth term plus a perturbing term which is singular at the origin. The method is effective down to very small values of the perturbation parameter and supplements the previously reported perturbation approach which is valuable for large λ values.