2019 |
Chamakhi R., Telmini M., Atabek O., & Charron E. (2019). Anisotropy control in photoelectron spectra: A coherent two-pulse interference strategy. Phys. Rev. A, 100, 033402.
Résumé: Coherence among rotational ion channels during photoionization is exploited to control the anisotropy of the resulting photoelectron angular distributions at specific photoelectron energies. The strategy refers to a robust and single parameter control using two ultrashort light pulses delayed in time. The first pulse prepares a superposition of a few ion rotational states, whereas the second pulse serves as a probe that gives access to a control of the molecular asymmetry parameter β for individual rotational channels. This is achieved by tuning the time delay between the pulses, leading to channel interferences that can be turned from constructive to destructive. The illustrative example is the ionization of the E(1Σg+) state of Li2. Quantum wave-packet evolutions are conducted including both electronic and nuclear degrees of freedom to reach angle-resolved photoelectron spectra. A simple interference model based on coherent phase accumulation during the field-free dynamics between the two pulses is precisely exploited to control the photoelectron angular distributions from almost isotropic to marked anisotropic.
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2018 |
Mangaud E., P. - J. R., Sugny D., Meier C., Atabek O, & Desouter-Lecomte M. (2018). Non-Markovianity in the optimal control of an open quantum system described by hierarchical equations of motion. New J. Phys., 20, 043050.
Résumé: Optimal control theory is implemented with fully converged hierarchical equations of motion (HEOM) describing the time evolution of an open system density matrix strongly coupled to the bath in a spin-boson model. The populations of the two-level sub-system are taken as control objectives; namely, their revivals or exchange when switching off the field. We, in parallel, analyze how the optimal electric field consequently modifies the information back flow from the environment through different non-Markovian witnesses. Although the control field has a dipole interaction with the central sub-system only, its indirect influence on the bath collective mode dynamics is probed through HEOM auxiliary matrices, revealing a strong correlation between control and dissipation during a non-Markovian process. A heterojunction is taken as an illustrative example for modeling in a realistic way the two-level sub-system parameters and its spectral density function leading to a non-perturbative strong coupling regime with the bath. Although, due to strong system-bath couplings, control performances remain rather modest, the most important result is a noticeable increase of the non-Markovian bath response induced by the optimally driven processes.
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Puthumpally-Joseph R., Mangaud E., Chevet V., Desouter-Lecomte M., Sugny D., & Atabek O. (2018). Basic mechanisms in the laser control of non-Markovian dynamics. Phys. Rev. A, 97(3), 033411.
Résumé: Referring to a Fano-type model qualitative analogy we develop a comprehensive basic mechanism for the laser control of the non-Markovian bath response and fully implement it in a realistic control scheme, in strongly coupled open quantum systems. Converged hierarchical equations of motion are worked out to numerically solve the master equation of a spin-boson Hamiltonian to reach the reduced electronic density matrix of a heterojunction in the presence of strong terahertz laser pulses. Robust and efficient control is achieved increasing by a factor of 2 the non-Markovianity measured by the time evolution of the volume of accessible states. The consequences of such fields on the central system populations and coherence are examined, putting the emphasis on the relation between the increase of non-Markovianity and the slowing down of decoherence processes.
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2017 |
Chamakhi, R., Puthumpally-Joseph, R., Telmini, M., & Charron, E. (2017). Extracting spectroscopic molecular parameters from short pulse photo-electron angular distributions. J. Chem. Phys., 147(14), 144304.
Résumé: Using a quantum wave packet simulation including the nuclear and electronic degrees of freedom, we investigate the femtosecond and picosecond energy- and angle-resolved photoelectron spectra of the E(Sigmag+1) electronic state of Li2. We find that the angular distributions of the emitted photoelectrons depend strongly on the pulse duration in the regime of ultrashort laser pulses. This effect is illustrated by the extraction of a time-dependent asymmetry parameter whose variation with pulse duration can be explained by an incoherent average over different ion rotational quantum numbers. We then derive for the variation of the asymmetry parameter a simple analytical formula, which can be used to extract the asymptotic CW asymmetry parameters of individual transitions from measurements performed with ultra-short pulses.
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Jaouadi, A., Lefebvre, R., & Atabek, O. (2017). Vibrational-ground-state zero-width resonnaces for laser filtration: An extended semiclassical analysis. Phys. Rev. A, 95, 063409.
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Leclerc, A., Viennot, D., Jolicard, G., Lefebvre, R., & Atabek, O. (2017). Exotic states in the strong field control of H2+ dissociation dynamics: From exceptional points to zero width resonances. J. Phys. B, 50, 234002.
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Lefebvre, R. (2017). Factorisation of zero-width resonance wave functions. Molecular Physics, 115(15-16), 1966–1970.
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Nguyen-Dang, T. T., Peters, M., Viau-Trudel, J., Couture-Bienvenue, E., Puthumpally-Joseph, R., Charron, E., & Atabek, O. (2017). Laser-induced electron diffraction: alignment defects and symmetry breaking. Molecular Physics, 115(15-16), 1934–1943.
Résumé: The fringe pattern that allows geometrical and orbital structure information to be extracted from LIED (laser-induced electron diffraction) spectra of symmetric molecules is shown to reflect a symmetry conservation principle. We show that under a field polarisation which preserves certain symmetry elements of the molecule, the symmetry character of the initial wave function is conserved during its time-evolution. We present a symmetry analysis of a deviation from a perfect alignment by decomposing the field into a major, symmetry-determining part, and a minor, symmetry-breaking part. This decomposition leads to a corresponding factorisation of the time-evolution operator. The formalism is applied to the analysis of the robustness of LIED readings and inversions with respect to deviations from a perfect perpendicular and parallel alignment of a symmetric ABA triatomic molecule. The results indicate a particularly strong stability of the type of LIED spectra associated with the perpendicular alignment situation.
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Puthumpally-Joseph R., Mangaud E., Desouter-Lecomte M., Atabek O., & Sugny D. (2017). Towards laser control of open quantum systems: Memory effects. Mol. Phys., 115, 1944.
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Puthumpally-Joseph, R., Viau-Trudel, J., Peters, M., Nguyen-Dang, T. T., Atabek, O., & Charron, E. (2017). Laser-induced electron diffraction: inversion of photo-electron spectra for molecular orbital imaging. Molecular Physics, 115(15-16), 1889–1897.
Résumé: In this paper, we discuss the possibility of imaging molecular orbitals from photoelectron spectra obtained via laser -induced electron diffraction in linear molecules. This is an extension of our recent work to the case of the HOMO-1 orbital of the carbon dioxide molecule. We show that such an imaging technique has the potential to image molecular orbitals at different internuclear distances in a sub-femtosecond time scale and with a resolution of a fraction of an Angström.
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2016 |
Finkelstein-Shapiro, D., Calatayud, M., Atabek, O., Mujica, V., & Keller, A. (2016). Nonlinear Fano interferences in open quantum systems: An exactly solvable model. Physical Review A, 93, 063414.
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Leclerc, A., Viennot, D., Jolicard, G., Lefebvre, R., & Atabek, O. (2016). Controlling vibrational cooling with Zero-Width Resonnaces: An adiabatic Floquet approach. Phys. Rev. A, 94, 043409.
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Lefebvre, R. (2016). Factorization and recomposition of molecular wave functions. J Chem Phys, 145(12), 124108.
Résumé: Some situations in the determination of molecular wave functions require to go beyond the Born-Oppenheimer (BO) approximation, with the wave function written as the product of an electronic wave function depending parametrically on the nuclear coordinates and a nuclear wave function. Such situations are usually treated by combining BO products. This form of the wave function leads to coupled equations which determine the nuclear factors of these products. There is another possibility: writing the exact molecular wave function as a single product having formally the same structure as a BO product. This approach has been at the origin of recent developments. We reconsider this problem with the aim of looking at the solutions of the coupled equations which determine the electronic factor of the factorization scheme. It is shown that these coupled equations can be reduced precisely to those encountered with the usual combination of diabatic BO products.
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Puthumpally-Joseph, R., Viau-Trudel, J., Peters, M., Nguyen-Dang, T. T., Atabek, O., & Charron, E. (2016). Inversion of strong-field photoelectron spectra for molecular orbital imaging. Phys. Rev. A, 94(2), 023421.
Résumé: Imaging structures at the molecular level is a developing interdisciplinary research field that spans the boundaries of physics and chemistry. High-spatial-resolution images of molecules can be obtained with photons or ultrafast electrons. In addition, images of valence molecular orbitals can be extracted via tomographic techniques based on the coherent extreme UV radiation emitted by a molecular gas exposed to an intense ultrashort infrared laser pulse. In this paper, we demonstrate that similar information can be obtained by inverting energy-resolved photoelectron spectra using a simplified analytical model.
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2015 |
Lefebvre R. (2015). Intense-field molecular photodissociation : the adiabatic views. In Frontiers in Quantum Methods and Applications in Chemistry and Physics, XIX (pp. 135–145).
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Lefebvre, R. (2015). Factorized molecular wave functions: Analysis of the nuclear factor. J Chem Phys, 142(21), 214105.
Résumé: The exact factorization of molecular wave functions leads to nuclear factors which should be nodeless functions. We reconsider the case of vibrational perturbations in a diatomic species, a situation usually treated by combining Born-Oppenheimer products. It was shown [R. Lefebvre, J. Chem. Phys. 142, 074106 (2015)] that it is possible to derive, from the solutions of coupled equations, the form of the factorized function. By increasing artificially the interstate coupling in the usual approach, the adiabatic regime can be reached, whereby the wave function can be reduced to a single product. The nuclear factor of this product is determined by the lowest of the two potentials obtained by diagonalization of the potential matrix. By comparison with the nuclear wave function of the factorized scheme, it is shown that by a simple rectification, an agreement is obtained between the modified nodeless function and that of the adiabatic scheme.
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Lefebvre, R. (2015). Perturbations in vibrational diatomic spectra: factorization of the molecular wave function. J Chem Phys, 142(7), 074106.
Résumé: The coupling between two electronic states of a diatomic molecule may lead to an erratic behaviour of the associated vibrational energies. An example is the homogeneous coupling between the valence b' state and the Rydberg c' state of the N2 molecule, both of symmetry (1)Sigmau (+). The standard treatment of such a situation is to write the wave function as a sum of two Born-Oppenheimer products. It has recently been argued [L. S. Cederbaum, J. Chem. Phys. 138, 224110 (2013); N. I. Gidopoulos and E. K. U. Gross, Philos. Trans. R. Soc., A 372, 20130059 (2014)] that even in such a case the wave function should be representable as a single product, with an electronic factor depending parametrically on nuclear positions and a nuclear factor. We setup such a representation in the case of the perturbations in the N2 molecule.
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2014 |
Sugny, D., Vranckx, S., Ndong, M., Vaeck, N., Atabek, O., & Desouter-Lecomte, M. (2014). Control of molecular dynamics with zero-area fields: Application to molecular orientation and photofragmentation. Physical Review A, 90, 053404.
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Tarakeshwar P., Palma J. L., Finkelstein-Shapiro D., Keller A., Urdaneta I., Calatayud M., Atabek O., & Mujica V. (2014). SERS as a probe of charge-transfer pathways in hybrid dye/molecule-metal oxide complexes. J. Phys. Chem. C, 118, 3774.
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Urdaneta I., Keller A., Atabek O., Palma J. L., Finkelstein-Shapiro D., Tarakeshwar P., Mujica V., & Calatayud M. (2014). Dopamine Adsorption on TiO2 Anatase Surfaces. J. Phys. Chem. C, 118, 20688.
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Urdaneta I., Pilmé J., Keller A., Atabek O., Tarakeshwar P., Mujica V., & Calatayud M. (2014). Probing Raman enhancement in Dopamine-Ti2O4 hybrid using stretched molecular geometries. J. Phys. Chem. A, 118, 1196.
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2013 |
Atabek, O., Lefebvre, R., Jaouadi, A., & Desouter-Lecomte, M. (2013). Proposal for laser purification in molecular vibrational cooling using zero-width resonances. PHYSICAL REVIEW A, 87, 031403.
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Jaouadi, A., Desouter-Lecomte M., Lefebvre, R., & Atabek, O. (2013). Signature of exceptional points in the laser control of non-adiabatic vibrational transfer. J. Phys. B: At. Mol. Opt. Phys., 46, 145402.
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Jaouadi, A., Desouter-Lecomte, M., Lefebvre, R., & Atabek, O. (2013). Exceptional points for logic operations at the molecular level. Fortschritte der Physik, 61, 162.
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Kokoouline, V., Wearne, A., Lefebvre, R., & Atabek, O. (2013). Laser-controlled rotational cooling of Na2 based on exceptional points. PHYSICAL REVIEW A, 88, 033408.
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Lefebvre, C., Nguyen-Dang, T. T., Dion, F., Vrakking, M. J. J., Serov, V. N., & Atabek, O. (2013). Attosecond pump-probe transition-state spectroscopy of laser-induced molecular dissociative ionization: Adiabatic versus nonadiabatic dressed-state dynamics. PHYSICAL REVIEW A, 88(5), 053416.
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Lefebvre, R., & Atabek, O. (2013). Dissociation quenching using exceptional points. Journal of Molecular Modeling, 19, 1959.
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Sugny, D., Vranckx, S., Ndong, M., Atabek, O., & Desouter-Lecomte, M. (2013). External constraints on optimal control strategies in molecular orientation and photofragmentation: role of zero-area fields. Journal of Modern Optics, 61, 816.
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2012 |
Atabek, O. (2012). Ultrafast intense laser induced molecular dissociation: Imaging and control. Balkan Physics Letters, 20, 37.
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Lefebvre, R., Jaouadi, A., & Atabek, O. (2012). Clusters of exceptional points for a laser control of selective vibrational transfer. Chemical Physics, 399, 111.
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Peters, M., Nguyen-Dang, T. T., Charron, E., Keller, A., & Atabek, O. (2012). Laser-induced electron diffraction: A tool for molecular orbital imaging. PHYSICAL REVIEW A, 85(5), 053417.
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2011 |
Atabek, O., Lefebvre, R., Lepers, M., Jaouadi, A., Dulieu, O., & Kokoouline, V. (2011). Proposal for a Laser Control of Vibrational Cooling in $\mathrmNa_2$ Using Resonance Coalescence. PHYSICAL REVIEW LETTERS, 106(17), 173002.
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Lefebvre, R., & Atabek, O. (2011). Zero-width resonances and exceptional points in molecular photodissociation. International Journal of Quantum Chemistry, 111, 272.
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Lefebvre, R., Jaouadi, A., Dulieu, O., & Atabek, O. (2011). Laser cooling of the vibrational motion of Na$_2$ combining the effects of zero-width resonances and exceptional points. PHYSICAL REVIEW A, 84(4), 043428.
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Peters, M., Nguyen-Dang, T. T., & Atabek, O. (2011). Intense laser-induced molecular processes: From imaging to control. Physical and Chemical News, 57(1), 1.
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Peters, M., Nguyen-Dang, T. T., Cornaggia, C., Saugout, S., Charron, E., Keller, A., & Atabek, O. (2011). Ultrafast molecular imaging by laser-induced electron diffraction. PHYSICAL REVIEW A, 83, 051403.
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2010 |
Atabek, O., & Lefebvre, R. (2010). Laser Control of Vibrational Transfer Based on Exceptional Points†. JOURNAL OF PHYSICAL CHEMISTRY A, 114, 3031.
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Lefebvre, R., & Atabek, O. (2010). Exceptional points in multichannel resonance quantization. The European Physical Journal D, 56, 317.
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R. Lefebvre and N. Moiseyev. (2010). Localization of exceptional points with Padé approximants. J. Phys. B: At. Mol. Opt. Phys., 43, 095401.
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R. Uzdin and R. Lefebvre. (2010). Finding and pinpointing exceptional points in open systems. J. Phys. B: At. Mol. Opt. Phys., 43, 235004.
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2009 |
Kelkensberg, F., Lefebvre, C., Siu, W., Ghafur, O., Nguyen-Dang, T. T., Atabek, O., Keller, A., Serov, V., Johnsson, P., Swoboda, M., Remetter, T., L’Huillier, A., Zherebtsov, S., Sansone, G., Benedetti, E., Ferrari, F., Nisoli, M., Lépine, F., Kling, M. F., & Vrakking, M. J. J. (2009). Molecular Dissociative Ionization and Wave-Packet Dynamics Studied Using Two-Color XUV and IR Pump-Probe Spectroscopy. PHYSICAL REVIEW LETTERS, 103, 123005.
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Lefebvre, R., & Atabek, O. (2009). Unusual low-intensity regime in laser-induced molecular photodissociation. International Journal of Quantum Chemistry, 109, 3423.
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Lefebvre, R., Atabek, O., Šindelka, M., & Moiseyev, N. (2009). Resonance Coalescence in Molecular Photodissociation. PHYSICAL REVIEW LETTERS, 103(12), 123003.
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2008 |
Atabek, O., & Lefebvre, R. (2008). Multiple occurrence of zero-width resonances in photodissociation: Effect of laser field intensity and frequency. PHYSICAL REVIEW A, 78(4), 043419.
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Saugout, S., Charron, E., & Cornaggia, C. (2008). H2 double ionization with few-cycle laser pulses. PHYSICAL REVIEW A, 77, 023404.
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