Rotation-Induced Breakdown of Torsional Quantum Control

Control of the torsional angles of nonrigid molecules is key for the development of emerging areas like molecular electronics and nanotechnology. Based on a rigorous calculation of the rotation-torsion-Stark energy levels of nonrigid biphenyl-like molecules, we show that, unlike previously believed, instantaneous rotation-torsion-Stark eigenstates of such molecules, interacting with a strong laser field, present a large degree of delocalization in the torsional coordinate even for the lowest energy states. This is due to a strong coupling between overall rotation and torsion leading to a breakdown of the torsional alignment. Thus, adiabatic control of changes on the planarity of this kind of molecule is essentially impossible unless the temperature is on the order of a few Kelvin.

A FEM-BEM coupling procedure through the Steklov-Poincarè operator

Many advantages can be got in combining finite and boundary elements.It is the case, for example, of unbounded field problems where boundary elements can provide the appropriate conditions to represent the infinite domain while finite elements are suitable for more complex properties in the near domain. However, in spite of it, other disadvantages can appear. It would be, for instance, the loss of symmetry in the finite elements stiffness matrix, when the combination is made. On the other hand, in our days, with the strong irruption of the parallel proccessing the techniques of decomposition of domains are getting the interest of numerous scientists. With their application it is possible to separate the resolution of a problem into several subproblems. That would be beneficial in the combinations BEM-FEM as the loss of symmetry would be avoided and every technique would be applicated separately. Evidently for the correct application of these techniques it is necessary to establish the suitable transmission conditions in the interface between BEM domain and FEM domain. In this paper, one parallel method is presented which is based in the interface operator of Steklov Poincarè.