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See detailCharge Migration in the Bifunctional PENNA Cation Induced and Probed by Ultrafast Ionization: A Dynamical Study.
Mignolet, Benoît ULg; Levine, R. D.; Remacle, Françoise ULg

in Journal of Physics : B Atomic Molecular & Optical Physics (2014), 47

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See detailThe Threshold Photoelectron Spectrum of Geminal Chloro-Fluoro-ethene (1,1-C2H2FCl) isomer. Experiment and Theory.
Locht, Robert ULg; Dehareng, Dominique ULg; Leyh, Bernard ULg

in Journal of Physics : B Atomic Molecular & Optical Physics (2014), 47(8), 0851019

The threshold photoelectron spectrum (TPES) of 1,1-C2H2FCl has been measured for the first time using synchrotron radiation. It has been compared to the HeI photoelectron spectrum (PES) obtained earlier ... [more ▼]

The threshold photoelectron spectrum (TPES) of 1,1-C2H2FCl has been measured for the first time using synchrotron radiation. It has been compared to the HeI photoelectron spectrum (PES) obtained earlier [Tornow G. et al., Chem.Phys. 146 115 (1990)]. Eight photoelectron bands have been observed at 10.22 eV, 12.45 eV, 13.28 eV, 14.29 eV, 14.99 eV, 17.12 eV, 17.67 eV, and at 20.23 eV successively. Only the first three bands exhibit a rich and extensive vibrational structure. Their adiabatic ionization energies are measured and a detailed vibrational analysis is presented. The assignments of the electronic bands and of the vibrational wavenumbers were made by using ab initio quantum chemical calculations. These allowed us to provide the MO description of the eight electronic states in terms of ionization and double excitation. The good correlation between predicted vibrational wavenumbers and the experimental values provides a strong basis for the assignment of all the vibrational structures. [less ▲]

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See detailThe threshold photoelectron spectroscopy of the cis- and trans-1-chloro-2-fluoro-ethene isomers. An experimental and quantum chemical study.
Locht, Robert ULg; Dehareng, Dominique ULg; Leyh, Bernard ULg

in Journal of Physics : B Atomic Molecular & Optical Physics (2014), 47(17), 175101-175012

The threshold photoelectron spectra (TPES) of the two vicinal isomers of the 1,2-C2H2FCl molecule have been investigated in the 9-24 eV energy range using synchrotron radiation. Eight (for the cis-isomer ... [more ▼]

The threshold photoelectron spectra (TPES) of the two vicinal isomers of the 1,2-C2H2FCl molecule have been investigated in the 9-24 eV energy range using synchrotron radiation. Eight (for the cis-isomer) or nine (for the trans-isomer) bands have been observed and the corresponding ionization energies have been determined. The spectroscopic assignments are based on high level quantum chemical ab initio calculations for both isomers. Most of the observed spectral features could be interpreted. For both species the first three TPES bands exhibit a rich vibrational structure. Vibrational energies were determined and assignments were also supported by quantum chemical calculations of vibrational wavenumbers for these three ionic states of both isomers. [less ▲]

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See detailDecay rates for radiative transitions in the Pr IV spectrum
Enzonga Yoca, S.; Quinet, Pascal ULg

in Journal of Physics : B Atomic Molecular & Optical Physics (2013)

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See detailSignatures of exceptional points in the laser control of non-adiabatic vibrational transfer
Jaouadi, A.; Desouter, Michèle ULg; Lefebvre, Roland et al

in Journal of Physics : B Atomic Molecular & Optical Physics (2013), (46), 145402

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See detailDetermination of photodissociation and radiative association cross sections from the same time-dependent calculation
Vranckx, Stéphane; Loreau, Jérôme; Desouter, Michèle ULg et al

in Journal of Physics : B Atomic Molecular & Optical Physics (2013), 46

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See detailConfiguration interaction and radiative decay rates in trebly ionized tungsten (W IV)
Enzonga Yoca, S; Quinet, Pascal ULg; Biémont, Emile ULg

in Journal of Physics : B Atomic Molecular & Optical Physics (2012), 45

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See detailRadiative properties and core-polarization effects in W5+ ions
Enzonga Yoca, S; Palmeri, P; Quinet, Pascal ULg et al

in Journal of Physics : B Atomic Molecular & Optical Physics (2012), 45

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See detailComparative semi-empirical and ab initio atomic structure calculations in Yb-like tungsten W4+
Enzonga Yoca, S; Quinet, Pascal ULg; Palmeri, P et al

in Journal of Physics : B Atomic Molecular & Optical Physics (2012), 45

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See detailThe Spectroscopy of the Geminal Ethylene difluoride (1,1-C2H2F2): HeI, threshold and Constant Ion State spectroscopies.
Locht, Robert ULg; Dehareng, Dominique ULg; Leyh, Bernard ULg

in Journal of Physics : B Atomic Molecular & Optical Physics (2012), 45(11), 115101

The threshold photoelectron spectrum (TPES) and the constant ion state (CIS) spectra of the individual ionic states of 1,1-C2H2F2 have been recorded using synchrotron radiation. The TPES has been measured ... [more ▼]

The threshold photoelectron spectrum (TPES) and the constant ion state (CIS) spectra of the individual ionic states of 1,1-C2H2F2 have been recorded using synchrotron radiation. The TPES has been measured between 9.5 eV and 28 eV photon energy. For comparison the HeI photoelectron spectrum (HeI-PES) has also been measured and analyzed in detail. Numerous vibrational structures, reported for the first time, observed in the ground state and the seven excited states of the cation are analyzed. Quantum chemical calculations have been performed and provided support to the assignments. The exceptional contribution of autoionization to the HeI PES could be emphasized. State selected CIS spectra highlighted the importance of the autoionizing contribution to the production of almost all ionized states of 1,1-C2H2F2 observed in this work. Several peculiarities of the vibrationally resolved CIS spectra are analyzed. [less ▲]

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See detailA theoretical survey of atomic structure and forbidden transitions in 4pk and 4dk ground configurations of tungsten ions W29+ through W43+
Quinet, Pascal ULg

in Journal of Physics : B Atomic Molecular & Optical Physics (2012), 45

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See detailAdiabatic passage and ensemble control of quantum systems
Leghtas, Zaki; Sarlette, Alain ULg; Rouchon, Pierre

in Journal of Physics : B Atomic Molecular & Optical Physics (2011), 44(15), 154017

This paper considers population transfer between eigenstates of a finite quantum ladder controlled by a classical electric field. Using an appropriate change of variables, we show that this setting can be ... [more ▼]

This paper considers population transfer between eigenstates of a finite quantum ladder controlled by a classical electric field. Using an appropriate change of variables, we show that this setting can be set in the framework of adiabatic passage, which is known to facilitate ensemble control of quantum systems. Building on this insight, we present a mathematical proof of robustness for a control protocol—chirped pulse—practised by experimentalists to drive an ensemble of quantum systems from the ground state to the most excited state. We then propose new adiabatic control protocols using a single chirped and amplitude-shaped pulse, to robustly perform any permutation of eigenstate populations, on an ensemble of systems with unknown coupling strengths. These adiabatic control protocols are illustrated by simulations on a four-level ladder. [less ▲]

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See detailSpectroscopic data for atomic tungsten transitions of interest in fusion plasma research
Quinet, Pascal ULg; Palmeri, P; Biémont, Emile ULg

in Journal of Physics : B Atomic Molecular & Optical Physics (2011), 44

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See detailA Photoelectron Spectroscopic Investigation of Vinyl Fluoride (C2H3F). The HeI, Threshold and CIS Photoelectron Spectroscopy.
Locht, Robert ULg; Leyh, Bernard ULg; Dehareng, Dominique ULg et al

in Journal of Physics : B Atomic Molecular & Optical Physics (2010), 43(1), 01510215

The threshold photoelectron spectrum (TPES) and the constant ion state (CIS) spectra of the individual ionic states of C2H3F have been recorded using synchrotron radiation. For comparison a well resolved ... [more ▼]

The threshold photoelectron spectrum (TPES) and the constant ion state (CIS) spectra of the individual ionic states of C2H3F have been recorded using synchrotron radiation. For comparison a well resolved HeI photoelectron spectrum (HeI-PES) has also been measured and analyzed in detail. The TPES has been measured between 9.5 eV and 35 eV photon energy. Numerous vibrational structures, reported for the first time, observed in the ground state and the six excited states of the cation are analyzed. Quantum chemical calculations have been performed and provide strong support to the assignments. State selected CIS spectra highlighted the major importance of autoionization for the production of almost all ionized states of C2H3F observed in this work. [less ▲]

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See detailThe Photoionization Dynamics of Methyl Iodide (CH3I): a joint Photoelectron and Mass Spectrometric Investigation.
Locht, Robert ULg; Dehareng, Dominique ULg; Hottmann, K. et al

in Journal of Physics : B Atomic Molecular & Optical Physics (2010), 43(10), 105101

The threshold photoelectron (TPES) and the photoionization mass spectrometric (PIMS) study of CH3I in the 8-20 eV photon energy range are presented. The interpretation and assignments are supported by ab ... [more ▼]

The threshold photoelectron (TPES) and the photoionization mass spectrometric (PIMS) study of CH3I in the 8-20 eV photon energy range are presented. The interpretation and assignments are supported by ab initio calculations. The TPES shows many new discrete features in the Jahn-Teller split ground X 2E (2A'-2A”) state of CH3I+. A new continuous band starting at about 11.7 eV is detected. These observations are essentially correlated with autoionizing transitions. This interpretation is supported by constant ion state (CIS) spectroscopy. A large enhancement of the transitions to the A 2A and B 2E ionic states is ascribed to large autoionizing contributions. Based on the present calculations, the weak to very weak bands in the 18.0 eV-23.0 eV photon energy range are mainly assigned to 2a1-1 ionization and to double excitations corresponding essentially to the 2e-2 4a11 and 3a1- 1 2e-1 4a11 configurations. The photoionization mass spectrometric study allowed us to investigate in detail the ionization and dissociation of CH3I+ leading to CH2+, CH3+, I+ and CH2I+ from the threshold up to 20 eV photon energy. The experimental data are compared to ab initio calculated dissociation energies. The threshold of appearance of CH3+, I+ and CH2I+ fragments are concentrated in the 12.2-12.7 eV photon energy range. All three exit channels are correlated with the ground state of CH3I+ via nonadiabatic transitions. All three fragment ions have to appear through predissociation of the ionic X 2E state and autoionizing dissociation from the (2E3/2)6p Rydberg state. This interpretation is strongly supported by the photoabsorption spectrum measured recently in the same photon energy range [1]. At higher energies, beside direct or predissociation of the A 2A1 and B 2E states of CH3I+, autoionization is also suggested to contribute to the fragmentation in all decay channels. [less ▲]

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See detailLifetime measurements and transition probabilities in Mo II
Lundberg, H; Engström, L; Hartman, H et al

in Journal of Physics : B Atomic Molecular & Optical Physics (2010), 43

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See detailLifetime measurements of odd-parity high excitation levels of Sn I by time-resolved laser spectroscopy
Zhang, W; Feng, Y; Xu, J et al

in Journal of Physics : B Atomic Molecular & Optical Physics (2010), 43

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See detailQuantum dynamics of the charge transfer in C+ + S at low collision energy
Chenel, Aurélie; Mangaud, Etienne; Justum, Yves et al

in Journal of Physics : B Atomic Molecular & Optical Physics (2010), 43

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See detailLandé g-factors along the sixth row of the periodic table
Biémont, Emile ULg; Palmeri, P.; Quinet, Pascal ULg

in Journal of Physics : B Atomic Molecular & Optical Physics (2010), 43

Land´e g-factors are calculated, in intermediate coupling, for 2084 levels belonging to atoms or ions of the sixth row of the periodic table. Extensive configuration interaction and relativistic effects ... [more ▼]

Land´e g-factors are calculated, in intermediate coupling, for 2084 levels belonging to atoms or ions of the sixth row of the periodic table. Extensive configuration interaction and relativistic effects are included in the framework of the relativistic Hartree–Fock approximation including core-polarization effects. The results have been refined using least-squares fittings of the Hamiltonian eigenvalues to the observed energy levels (when available). The new results fill in some gaps in the existing data for a large number of levels belonging to ions of astrophysical interest and are expected to be useful for investigating magnetic fields in CP stars. [less ▲]

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