Search results for "Total angular momentum quantum number"
showing 5 items of 55 documents
Intermolecular potential and rovibrational states of the H2O–D2 complex
2012
International audience; A five-dimensional intermolecular potential for H2O-D-2 was obtained from the full nine-dimensional ab initio potential surface of Valiron et al. [P. Valiron, M. Wernli, A. Faure, L. Wiesenfeld, C. Rist, S. Kedzuch, J. Noga, J. Chem. Phys. 129 (2008) 134306] by averaging over the ground state vibrational wave functions of H2O and D-2. On this five-dimensional potential with a well depth D-e of 232.12 cm (1) we calculated the bound rovibrational levels of H2O-D-2 for total angular momentum J = 0-3. The method used to compute the rovibrational levels is similar to a scattering approach-it involves a basis of coupled free rotor wave functions for the hindered internal r…
State-to-State Quantum Dynamics Calculations of the C plus OH Reaction on the Second Excited Potential Energy Surface
2011
Accurate three-dimensional quantum-mechanical scattering calculations using a time-indepedent hyperspherical method have been performed for the C((3)P) + OH(X(2)Π) → CO(a(3)Π) + H((2)S) reaction on the second excited potential energy surface of 1(4)A″ symmetry. State-to-state reaction probabilities at a total angular momentum J = 0 have been computed in a wide range of collision energies. Many pronounced resonances have been found, espcially at low energy. The product vibrational distributions are noninverted. The present results therefore suggest that the title reaction proceeds via a long-lived intermediate complex. An approximate quantum-mechanical rate constant has also been calculated,…
Efficient polarization of high-angular-momentum systems
2016
We propose methods of optical pumping that are applicable to open, high-angular-momentum transitions in atoms and molecules, for which conventional optical pumping would lead to significant population loss. Instead of applying circularly polarized cw light, as in conventional optical pumping, we propose to use techniques for coherent population transfer (e.g., adiabatic fast passage) to arrange the atoms so as to increase the entropy removed from the system with each spontaneous decay from the upper state. This minimizes the number of spontaneous-emission events required to produce a stretched state, thus reducing the population loss due to decay to other states. To produce a stretched stat…
Relation between quasirigidity andL-rigidity in space-times of constant curvature and weak fields
1997
The relation between quasirigidity andL-rigidity in space-times of constant nonzero curvature and in space-times with small curvature (weak fields) is studied. The covariant expansion of bitensors about a point is considered. We obtain an increase in the order of magnitude, underL-rigidity conditions, of the rate of change with respect to a comoving orthonormal frame of the linear momentum, angular momentum, and reduced multipole moments of the energy-momentum tensor. Thus,L-rigidity leads to quasirigidity in such space-times.
A comparative account of quantum dynamics of the H+ + H2 reaction at low temperature on two different potential energy surfaces
2014
Rotationally resolved reaction probabilities, integral cross sections, and rate constant for the H+ + H2 (v = 0, j = 0 or 1) → H2 (v′ = 0, j′) + H + reaction are calculated using a time-independent quantum mechanical method and the potential energy surface of Kamisaka et al. [J. Chem. Phys.116, 654 (2002)] (say KBNN PES). All partial wave contributions of the total angular momentum, J, are included to obtain converged cross sections at low collision energies and rate constants at low temperatures. In order to test the accuracy of the KBNN PES, the results obtained here are compared with those obtained in our earlier work [P. Honvault et al. , Phys. Rev. Lett.107, 023201 (2011)] using the ac…