Peer-reviewed Publications |
Bizau, J. M., Cubaynes, D., Guilbaud, S., El Hassan, N., Al Shorman, M. M., Bouisset, E., Guigand, J., Moustier, O., Marie, A., Nadal, E., Robert, E., Nicolas, C., & Miron, C. (2016). A merged-beam setup at SOLEIL dedicated to photoelectron-photoion coincidence studies on ionic species. Journal Of Electron Spectroscopy And Related Phenomena, 210, 5–12.
Résumé: We describe the merged-beam setup permanently installed on a dedicated optical branch of the PLEIADES beamline at SOLEIL, the French synchrotron radiation facility in St-Aubin, delivering photons in the 10-1000 eV photon energy range. The setup is designed both for photoion and photoelectron spectroscopy experiments on atomic and molecular ions. Ion spectrometry is dedicated to the deterrnination of absolute single and multiple photoionization cross sections. Electron spectroscopy brings additional information on the non-radiative decay of inner-vacancies produced in the photoionization processes and allows for the determination of partial cross sections. Efficient reduction of the background in the electron spectra is achieved by the use of the electron-ion coincidence technique. Examples of photoion and photoelectron spectra are given for the Xe5+ ion. (C) 2016 Elsevier B.V. All rights reserved.
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Bizau, J. M., Cubaynes, D., Guilbaud, S., Penent, F., Lablanquie, P., Andric, L., Palaudoux, J., Al Shorman, M. M., & Blancard, C. (2016). Photoelectron Spectroscopy of Ions: Study of the Auger Decay of the 4d -> nf (n=4,5) Resonances in Xe5+ Ion. Physical Review Letters, 116(10), 103001.
Résumé: We have studied, for the first time by electron spectroscopy, the Auger decay of the 4d -> nf ( n = 4,5) resonances in Xe5+ ion. By detecting in coincidence the Auger electrons with the resulting Xe6+ ions, we unravel the contribution of the different final ionic states to the total cross section measured by ion spectroscopy. A strong intensity of 5s5p satellite lines has been observed, up to 4 times stronger than the 5s(2) main lines. This unexpected behavior is confirmed by multiconfiguration Dirac- Fock calculations. This technique provides the most stringent test for theoretical models and allows us to disentangle the contribution of ions in the ground and metastable states in the target beam.
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Cojocaru, G. V., Ungureanu, R. G., Banici, R. A., Ursescu, D., Guilbaud, O., Delmas, O., Le Marec, A., Neveu, O., Demailly, J., Pittman, M., Kazamias, S., Daboussi, S., Cassou, K., Li, L., Klisnick, A., Zeitoun, P., & Ros, D. (2016). One long and two short pumping pulses control for plasma x-ray amplifier optimization. Optics Express, 24(13), 14260–14270.
Résumé: Development of efficient soft x-ray laser plasma amplifiers adapted to seeded operation, requires a better control over amplifier transverse spatial extent, brilliance control and gain lifetime. Here it is shown that pumping the plasma amplifier with one long and two short pump pulses (1L2S) provides advantages in terms of control for the specified parameters in the case of Ni-like Ag x-ray laser. Also, significant tunability of the gain lifetime in the 1L2S pumping scheme for Ne-like Ti x-ray laser is observed. Direct harmonics seeding and chirped harmonics seeding amplification approaches may benefit from the control of the gain lifetime, in terms of better use of the pump energy and as a way to reduce the amplified spontaneous emission in x-ray lasers. (C) 2016 Optical Society of America
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Decleva, P., Orr-Ewing, A. J., Kowalewski, M., Kornilov, O., Marangos, J. P., Worner, H. J., Johnson, A. S., Forbes, R., Rolles, D., Townsend, D., Schalk, O., Mai, S., Penfold, T. J., Miller, R. J. D., Centurion, M., Ueda, K., Domcke, W., Weber, P. M., Baeck, K. K., Travnikova, O., Liekhus-Schmaltz, C., Figueira, J. A. P., Neumark, N. D. M., Gessner, O., Stolow, A., Rudenko, A., Mishra, P. K., Kirrander, A., Dowek, D., Martin, F., Vibok, A., Minitti, M. P., Stankus, B., & Burger, C. (2016). Structural dynamics: general discussion. Faraday Discussions, 194, 583–620.
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Decleva, P., Quadri, N., Perveaux, A., Lauvergnat, D., Gatti, F., Lasorne, B., Halasz, G. J., & Vibok, A. (2016). Attosecond electronic and nuclear quantum photodynamics of ozone monitored with time and angle resolved photoelectron spectra. Scientific Reports, 6, 36613.
Résumé: Recently we reported a series of numerical simulations proving that it is possible in principle to create an electronic wave packet and subsequent electronic motion in a neutral molecule photoexcited by a UV pump pulse within a few femtoseconds. We considered the ozone molecule: for this system the electronic wave packet leads to a dissociation process. In the present work, we investigate more specifically the time-resolved photoelectron angular distribution of the ozone molecule that provides a much more detailed description of the evolution of the electronic wave packet. We thus show that this experimental technique should be able to give access to observing in real time the creation of an electronic wave packet in a neutral molecule and its impact on a chemical process.
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Del Cueto, M. M., AS Fuchsel, G Gatti, F Martin, F Diaz, C AF del Cueto, M. Muzas, A. S. Fuechsel, G. Gatti, F. Martin, F. Diaz. (2016). Role of van der Waals forces in the diffraction of noble gases from metal surfaces. PHYSICAL REVIEW B, 93(6), 060301.
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Fedortchenko S., Huppert S., Vasanelli A., Todorov Y., Ciuti C., Keller A., Coudreau T., & Milman P. (2016). Output squeezed radiation from dispersive ultrastrong light-matter coupling. Phys. Rev. A, 94, 013821.
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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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Firmino, T., Mangaud, E., Cailliez, F., Devolder, A., Mendive-Tapia, D., Gatti, F., Meier, C., Desouter-Lecomte, M., & de la Lande, A. (2016). Quantum effects in ultrafast electron transfers within cryptochromes. Physical Chemistry Chemical Physics, 18(31), 21442–21457.
Résumé: Cryptochromes and photolyases are flavoproteins that may undergo ultrafast charge separation upon electronic excitation of their flavin cofactors. Charge separation involves chains of three or four tryptophan residues depending on the protein of interest. The molecular mechanisms of these processes are not completely clear. In the present work we investigate the relevance of quantum effects like the occurrence of nuclear tunneling and of coherences upon charge transfer in Arabidopsis thaliana cryptochromes. The possible breakdown of the Condon approximation is also investigated. We have devised a simulation protocol based on the realization of molecular dynamics simulations on diabatic potential energy surfaces defined at the hybrid constrained density functional theory/molecular mechanics level. The outcomes of the simulations are analyzed through various dedicated kinetics schemes related to the Marcus theory that account for the aforementioned quantum effects. MD simulations also provide a basic material to define realistic model Hamiltonians for subsequent quantum dissipative dynamics. To carry out quantum simulations, we have implemented an algorithm based on the Hierarchical Equations of Motion. With this new tool in hand we have been able to model the electron transfer chain considering either two- or three-state models. Kinetic models and quantum simulations converge to the conclusion that quantum effects have a significant impact on the rate of charge separation. Nuclear tunneling involving atoms of the tryptophan redox cofactors as well as of the environment (protein atoms and water molecules) is significant. On the other hand non-Condon effects are negligible in most simulations. Taken together, the results of the present work provide new insights into the molecular mechanisms controlling charge separation in this family of flavoproteins.
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Ketterer A., Keller, A., Walborn S. P., Coudreau T., & Milman P. (2016). Quantum information processing in phase space: a modular variables approach. Phys. Rev. A, 94, 022325.
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Le Marec, A., Guilbaud, O., Larroche, O., & Klisnick, A. (2016). Evidence of partial temporal coherence effects in the linear autocorrelation of extreme ultraviolet laser pulses. Optics Letters, 41(14), 3387–3390.
Résumé: We study how the degree of temporal coherence of plasma-based extreme ultraviolet lasers operated in the amplification of the spontaneous emission mode is encoded in the shape of the linear autocorrelation function, which is obtained from the variation of the fringe visibility while varying the delay in a variable path-difference interferometer. We discuss the implications of this effect when the technique is used to infer the spectral properties of the source. Our numerical simulations, based on a partial coherence model developed by other authors for x-ray free electron lasers, are in good agreement with previously reported sets of measurements, illustrating similar statistical properties for both sources. (C) 2016 Optical Society of America
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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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McLaughlinB. M., Bizau J.-M., Cubaynes D., Guilbaud S., Douix S, Al Shorman M. M., El Ghazaly M. O. A., Sakho I., & Gharaibeh M. F. (2016). K-shell photoionization of O4 + and O5 + ions: experiment and theory. Royal Astronomical Society, 465, 4690.
Résumé: Absolute cross-sections for the K-shell photoionization of Be-like (O4 +) and Li-like (O5 +) atomic oxygen ions were measured for the first time (in their respective K-shell regions) by employing the ion–photon merged-beam technique at the SOLEIL synchrotron-radiation facility in Saint-Aubin, France. High-resolution spectroscopy with E/ΔE ≈ 3200 (≈170 meV, full width at half-maximum) was achieved with photon energy from 550 to 670 eV. Rich resonance structure observed in the experimental spectra is analysed using the R-matrix with pseudo-states (RMPS) method. Results are also compared with the screening constant by unit nuclear charge (SCUNC) calculations. We characterize and identify the strong 1s → 2p resonances for both ions and the weaker 1s → np resonances (n ≥ 3) observed in the K-shell spectra of O4 +.
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Milne, C. J., Weber, P. M., Kowalewski, M., Marangos, J. P., Johnson, A. S., Forbes, R., Worner, H. J., Rolles, D., Townsend, D., Schalk, O., Mai, S., Vacher, M., Miller, R. J. D., Centurion, M., Vibok, A., Domcke, W., Cireasa, R., Ueda, K., Bencivenga, F., Neumark, D. M., Stolow, A., Rudenko, A., Kirrander, A., Dowek, D., Martin, F., Ivanov, M., Dahlstrom, J. M., Dudovich, N., Mukamel, S., Sanchez-Gonzalez, A., Minitti, M. P., Austin, D. R., Kimberg, V., & Masin, Z. (2016). Attosecond processes and X-ray spectroscopy: general discussion. Faraday Discussions, 194, 427–462.
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Mosnier, J. P., Kennedy, E. T., van Kampen, P., Cubaynes, D., Guilbaud, S., Sisourat, N., Puglisi, A., Carniato, S., & Bizau, J. M. (2016). Inner-shell photoexcitations as probes of the molecular ions CH+, OH+, and SiH+: Measurements and theory. Physical Review A, 93, 061401.
Résumé: Spectral probes for the CH+, OH+, and SiH+ hydride molecular ions that play key roles in astrophysics and plasma processes are presented. The merged-beam technique at the SOLEIL synchrotron was used to record the photoionization (ion yield) spectra of CH+, OH+, and SiH+ and that of their parent atomic ions, in the K-shell and L-shell regions, respectively. Energies and oscillator strengths for the K alpha (CH+ and OH+) and La (SiH+) transitions were determined from the spectra. Ab initio calculations interpret the experimental data in terms of contributions from ground and excited valence electronic states.
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Orr-Ewing, A. J., Verlet, J. R. R., Penfold, T. J., Minns, R. S., Minitti, M. P., Solling, T. I., Schalk, O., Kowalewski, M., Marangos, J. P., Robb, M. A., Johnson, A. S., Worner, H. J., Shalashilin, D. V., Miller, R. J. D., Domcke, W., Ueda, K., Weber, P. M., Cireasa, R., Vacher, M., Roberts, G. M., Decleva, P., Bencivenga, F., Neumark, D. M., Gessner, O., Stolow, A., Mishra, P. K., Polyak, I., Baeck, K. K., Kirrander, A., Dowek, D., Jimenez-Galan, A., Martin, F., Mukamel, S., Sekikawa, T., Gelin, M. F., Townsend, D., Makhov, D. V., & Neville, S. P. (2016). Electronic and non-adiabatic dynamics: general discussion. Faraday Discussions, 194, 209–257.
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Puthumpally-Joseph, R., Sukharev, M., & Charron, E. (2016). Non-Hermitian wave packet approximation for coupled two-level systems in weak and intense fields. J. Chem. Phys., 144(15), 154109.
Résumé: We introduce a non-Hermitian Schrodinger-type approximation of optical Bloch equations for two-level systems. This approximation provides a complete and accurate description of the coherence and decoherence dynamics in both weak and strong laser fields at the cost of losing accuracy in the description of populations. In this approach, it is sufficient to propagate the wave function of the quantum system instead of the density matrix, providing that relaxation and dephasing are taken into account via automatically adjusted time-dependent gain and decay rates. The developed formalism is applied to the problem of scattering and absorption of electromagnetic radiation by a thin layer comprised of interacting two-level emitters.
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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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Saideh V., Felicetti S., Coudreau T., Milman P., & Keller A. (2016). Generalized spin-squeezing inequalities for particle number with quantum fluctuations. Phys. Rev. A, 94, 032312.
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Veyrinas, K., Gruson, V., Weber, S. J., Barreau, L., Ruchon, T., Hergott, J. - F., Houver, J. - C., Lucchese, R. R., Salieres, P., & Dowek, D. (2016). Molecular frame photoemission by a comb of elliptical high-order harmonics: a sensitive probe of both photodynamics and harmonic complete polarization state. Faraday Discussions, 194, 161–183.
Résumé: Due to the intimate anisotropic interaction between an XUV light field and a molecule resulting in photoionization (PI), molecular frame photoelectron angular distributions (MFPADs) are most sensitive probes of both electronic/nuclear dynamics and the polarization state of the ionizing light field. Consequently, they encode the complex dipole matrix elements describing the dynamics of the PI transition, as well as the three normalized Stokes parameters s(1), s(2), s(3) characterizing the complete polarization state of the light, operating as molecular polarimetry. The remarkable development of advanced light sources delivering attosecond XUV pulses opens the perspective to visualize the primary steps of photochemical dynamics in time-resolved studies, at the natural attosecond to few femtosecond time-scales of electron dynamics and fast nuclear motion. It is thus timely to investigate the feasibility of measurement of MFPADs when PI is induced e.g., by an attosecond pulse train (APT) corresponding to a comb of discrete high-order harmonics. In the work presented here, we report MFPAD studies based on coincident electron-ion 3D momentum imaging in the context of ultrafast molecular dynamics investigated at the PLFA facility (CEA-SLIC), with two perspectives: (i) using APTs generated in atoms/molecules as a source for MFPAD-resolved PI studies, and (ii) taking advantage of molecular polarimetry to perform a complete polarization analysis of the harmonic emission of molecules, a major challenge of high harmonic spectroscopy. Recent results illustrating both aspects are reported for APTs generated in unaligned SF6 molecules by an elliptically polarized infrared driving field. The observed fingerprints of the elliptically polarized harmonics include the first direct determination of the complete s(1), s(2), s(3) Stokes vector, equivalent to (psi, epsilon, P), the orientation and the signed ellipticity of the polarization ellipse, and the degree of polarization P. They are compared to so far incomplete results of XUV optical polarimetry. We finally discuss the comparison between the outcomes of photoionization and high harmonic spectroscopy for the description of molecular photodynamics.
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Zhao, Z. Q., Chen, J., Zhang, Z. J., Zhang, D. H., Lauvergnat, D., & Gatti, F. (2016). Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane. JOURNAL OF CHEMICAL PHYSICS, 144(20), 204302.
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Actes de Conférences |
Guilbaud, O., Kazamias, S., Cassou, K., Delmas, O., Demailly, J., Neveu, O., Ros, D., Baynard, E., Pittman, M., Shazad, M., Rossal, A., Tallents, G. J., Le Marec, A., Klisnick, A., Lu, L., Zeitoun, P., Cojocaru, G. V., Ungureanu, R. G., Banici, R. A., & Ursescu, D. (2016). Seeded Operation of a Ne-like Titanium Soft X-Ray Laser. In X-Ray Lasers 2014 (Vol. 169, pp. 61–67).
Résumé: Seeded operation of a Neon-like Titanium plasma-based soft x-ray laser is described. The plasma amplifier is pumped using a variation of the classical grazing incidence pumping technique, combining a long low energy pulse followed by a main short pulse. Because the preformed plasma is underionized, a part of the main short pulse energy is used to ionized it to the lasing stage. Consequences of this feature on seeded laser properties are discussed.
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Klisnick, A., Le Marec, A., Meng, L., Larroche, O., Guilbaud, O., Kozlova, M., Nejdl, J., & Calisti, A. (2016). Spectral Properties of Collisional Xuv Lasers for the Amplification of Femtosecond Pulses. In X-Ray Lasers 2014 (Vol. 169, pp. 45–52).
Résumé: We discuss the role of the spectral properties of XUV lasers in the amplification of femtosecond pulses in two different regimes. We present an overview of our recent spectral characterization of the four types of collisionally-pumped systems, also including other measurements from the literature. This is used to assess the potential of the different types of XUV lasers to amplify femtosecond pulses, either in the adiabatic or in the dynamic regime.
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Kozlova, M., Nejdl, J., Albrecht, M., Sebban, S., Gautier, J., Phuoc, K. T., Klisnick, A., Le Marec, A., & Tissandier, F. (2016). Overview of Development of Laser Driven Secondary Sources at PALS and ELI. In X-Ray Lasers 2014 (Vol. 169, pp. 35–43).
Résumé: In this paper we report on development of the secondary X-ray sources at the PALS Centre and discuss the plan for the ELI Beamlines project. The spatial and temporal coherence of the most energetic quasi-steady state Ne-like Zn X-ray laser, which is operated at PALS Centre as standard user beamline, was examined proving that amplification of coherent EUV pulses with duration below 1 ps will be possible. Meanwhile, the first transient lasing at PALS Center was achieved using 10 Hz Ti: Sapphire laser chain with peak power of 20 TW as a driver. Finally, we discuss the recent design of laser driven secondary sources generating short coherent or incoherent EUV/X-ray pulses within the ELI Beamlines project.
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Laversanne-Finot A., Ketterer A., Barros M. R., Walborn S. P., Coudreau T., Keller A., & Milman P. (2016). Contextually in a Peres-Mermin square using arbitrary operators. In Journal of Physics: Conference Series (Vol. 701, 012026).
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Le Marec, A., Kozlova, M., Nejdl, J., Meng, L., Tissandier, F., Guilbaud, O., Calisti, A., & Klisnick, A. (2016). Spectral and Coherence Properties of the Ne-like Zn X-Ray Laser at PALS. In X-Ray Lasers 2014 (Vol. 169, pp. 339–343).
Résumé: We present a refined measurement of the temporal coherence of the zinc X-ray laser generated at PALS, using a wavefront-division interferometer. The corresponding bandwidth of the lasing line is shown (i) to be broader than those of other types of X-ray lasers, previously characterized with the same instrument, and (ii) is compatible with the amplification of subpicosecond pulses. Similar measurements were also performed for shorter amplification lengths and the small-signal gain was carefully characterized.
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LeMarec, A., Larroche, O., Meng, L., & Klisnick, A. (2016). Temporal Response of Seeded XUV Lasers Under Different Amplification Regimes-Inversion Density Threshold. In X-Ray Lasers 2014 (Vol. 169, pp. 83–88).
Résumé: We present a simple model of amplification in XUV lasers which displays an inversion density threshold between a low-inversion, classical adiabatic regime and a high-inversion, dynamic regime involving Rabi oscillations. In the latter case, the small-signal gain is significantly smaller than the usually used adiabatic value, but the amplified pulse duration is no longer limited by the amplifier bandwidth. The dynamic regime can thus possibly lead to amplified femtosecond pulses.
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Ursescu, D., Cojocaru, G., Ungureanu, R., Banici, R., Ionel, L., Simion, S., Dabu, R., Tummler, J., Jung, R., Stiel, H., Delmas, O., Pittman, M., Guilbaud, O., Kazamias, S., Cassou, K., Demailly, J., Neveu, O., Baynard, E., Ros, D., Le Marec, A., Daboussi, S., Lu, L., Klisnick, A., & Zeitoun, P. (2016). Transient Collisionally Excited X-ray Lasers Pumped with One Long and Two Short Pulses. In X-Ray Lasers 2014 (Vol. 169, pp. 53–59).
Résumé: X-ray laser simulations based on Ehybrid code have shown that enhanced plasma x-ray laser emission can be achieved mastering the ionization dynamics and plasma temperature using one long and two short pulses (Ursescu and Ionel, J Optoelectron Adv Mat 12: 48-51, 2010). In parallel, two simple methods to generate multiple short pulses for pumping x-ray lasers were reported in conjunction with x-ray laser developments. Five to ten fold enhancement in the emission of the silver x-ray laser was demonstrated using the newly developed pump methods, when compared with the traditional one, based on a long pulse followed by one short pump pulse. An overview of these recent experiments will be presented. The possible implementation of these novel x-ray laser pumping methods at Extreme Light Infrastructure-Nuclear Physics facility will be discussed.
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Résumés |
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Klisnick, A., Le Marec, A., Bourassin-Bouchet, C., Cubaynes, D., Guilbaud, O., & Larroche, O. (2016). Characterization of Spectral and Temporal Properties of Plasma-Based XUV Laser Pulses. In 2016 Conference On Lasers And Electro-Optics (Cleo).
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