Search results for "interaction [electron p]"
showing 10 items of 282 documents
Molecular orbital studies on the mechanism of catalytic isomerization of xylenes III. Protonation channels
1981
Abstract The isoenergetic lines of the interaction energy between a bare proton and ortho-, meta- , and para -xylene have been calculated in order to detect both the best approaching channel and the preferred protonation positions. The channels found direct the protonation to the following ring positions: 4 and 5 for o -xylene, 4 and 6 for m -xylene, and 2 equivalents for p -xylene. The overall interaction energy determines the protonation positions on each isomer and the most important contributions to it are the electrostatic term in o -xylene, the polarization term in p -xylene, and both terms equally in m -xylene. These results are in agreement with the experimental findings and appear …
Ferrochirality: a simple theoretical model of interacting, dynamically invertible, helical polymers, 2. Molecular field approach: supports and the de…
1995
Using a molecular field approach, the effect of interaction between reversibly invertible, helical polymers is investigated theoretically. The helices are modelled by nearest-neighbour statistical thermodynamics. If the interaction energy between two helices of common handedness is lower than that of oppositely handed ones, a critical temperature Tc exists, below which the system spontaneously must leave the racemic state, though there is no contact to any chiral centre or force. This is analogous to the second-order phase transition of ferromagnets. The critical point increases with molecular weight and optical persistence of the helices. At the critical point the system is highly sensitiv…
Génération et interfaçage de lumière à photon unique et contrôle de la dynamique atomique ultra-rapide pour l’information quantique
2010
We develop a robust and realistic mechanism for the generation of indistinguishable single-photon (SP) pulses with identical frequency and polarization. They are produced on demand from a coupled double-Raman atom-cavity system driven by a sequence of laser pump pulses. This scheme features a high efficiency, the ability to produce a sequence of narrow-band SP pulses with a delay determined only by the pump repetition rate, and simplicity of the system free from complications such as repumping process and environmental dephasing. We propose and analyze a simple scheme of parametric frequency conversion for optical quantum information in cold atomic ensembles. Its remarkable properties are m…
Resonance interaction energy between two entangled atoms in a photonic bandgap environment
2018
We consider the resonance interaction energy between two identical entangled atoms, where one is in the excited state and the other in the ground state. They interact with the quantum electromagnetic field in the vacuum state and are placed in a photonic-bandgap environment with a dispersion relation quadratic near the gap edge and linear for low frequencies, while the atomic transition frequency is assumed to be inside the photonic gap and near its lower edge. This problem is strictly related to the coherent resonant energy transfer between atoms in external environments. The analysis involves both an isotropic three-dimensional model and the one-dimensional case. The resonance interaction…
The soliton-soliton interaction in the Chiral Dilaton Model
2012
We study the interaction between two B = 1 states in the Chiral Dilaton Model where baryons are described as nontopological solitons arising from the interaction of chiral mesons and quarks. By using the hedgehog solution for B = 1 states we construct, via a product ansatz, three possible B = 2 configurations to analyse the role of the relative orientation of the hedgehog quills in the dynamics of the soliton-soliton interaction and investigate the behavior of these solutions in the range of long/intermediate distance. One of the solutions is quite binding due to the dynamics of the pi and sigma fields at intermediate distance and should be used for nuclear matter studies. Since the product…
Rotational quenching of monodeuterated water by hydrogen molecules
2011
Cross sections and rate coefficients for low lying rotational transitions in HDO induced by para and ortho-H(2) collisions are presented for the first time. Calculations have been performed at the close-coupling and coupled-states levels with the deuterated variant of the H(2)O-H(2) interaction potential of Valiron et al. [J. Chem. Phys., 2008, 129, 134306]. Rate coefficients are presented for temperatures between 5 and 100 K and are compared to the corresponding rates for H(2)O and D(2)O. Significant differences caused by the isotopic substitution, in particular the C(2v) symmetry breaking, are observed. Finally, our rates are found to be significantly larger (by up to three orders of magn…
Time-dependent resonance interaction energy between two entangled atoms under nonequilibrium conditions
2018
We consider the time-dependent resonance interaction energy between two identical atoms, one in the ground state and the other in an excited state, and interacting with the vacuum electromagnetic field, during a nonequilibrium situation such as the dynamical atomic self-dressing process. We suppose the two atoms prepared in a correlated, symmetric or antisymmetric, state. Since the atoms start from a nonequilibrium conditions, their interaction energy is time dependent. We obtain, at second order in the atom-field coupling, an analytic expression for the time-dependent resonance interaction energy between the atoms. We show that this interaction vanishes when the two atoms are outside the l…
Complexes of HXeY with HX (Y, X = F, Cl, Br, I) : Symmetry-Adapted Perturbation Theory Study and Anharmonic Vibrational Analysis
2023
A comprehensive analysis of the intermolecular interaction energy and anharmonic vibrations of 41 structures of the HXeY· · · HX (X, Y = F, Cl, Br, I) family of noble-gas-compound complexes for all possible combinations of Y and X was conducted. New structures were identified, and their interaction energies were studied by means of symmetry-adapted perturbation theory, up to secondorder corrections: this provided insight into the physical nature of the interaction in the complexes. The energy components were discussed, in connection to anharmonic frequency analysis. The results show that the induction and dispersion corrections were the main driving forces of the interaction, and that their…
Synergistic effects of childhood adversity and polygenic risk in first-episode psychosis
2023
The European Network of National Schizophrenia Networks Studying Gene-Environment Interactions (EU-GEI) Project is funded by grant agreement HEALTH-F2-2010-241909 (Project EU-GEI) from the European Community’s Seventh Framework Programme.
AX-PET: A novel PET detector concept with full 3D reconstruction
2009
We describe the concept and first experimental tests of a novel 3D axial Positron Emission Tomography (PET) geometry. It allows for a new way of measuring the interaction point in the detector with very high precision. It is based on a matrix of long Lutetium-Yttrium OxyorthoSilicate (LYSO) crystals oriented in the axial direction, each coupled to one Geiger Mode Avalanche Photodiode (G-APD) array. To derive the axial coordinate, Wave Length Shifter (WLS) strips are mounted orthogonally and interleaved between the crystals. The light from the WLS strips is read by custom-made G-APDs. The weighted mean of the signals in the WLS strips has proven to give very precise axial resolution. The ach…