Long-lived oscillatory incoherent electron dynamics in molecules: trans-polyacetylene oligomers

We identify an intriguing feature of the electron-vibrational dynamics of molecular systems via a computational examination of trans-polyacetylene oligomers. Here, via the vibronic interactions, the decay of an electron in the conduction band resonantly excites an electron in the valence band, and vice versa, leading to oscillatory exchange of electronic population between two distinct electronic states that lives for up to tens of picoseconds. The oscillatory structure is reminiscent of beating patterns between quantum states and is strongly suggestive of the presence of long-lived molecular electronic coherence. Significantly, however, a detailed analysis of the electronic coherence properties shows that the oscillatory structure arises from a purely incoherent process. These results were obtained by propagating the coupled dynamics of electronic and vibrational degrees of freedom in a mixed quantum-classical study of the Su-Schrieffer-Heeger Hamiltonian for polyacetylene. The incoherent process is shown to occur between degenerate electronic states with distinct electronic configurations that are indirectly coupled via a third auxiliary state by vibronic interactions. A discussion of how to construct electronic superposition states in molecules that are truly robust to decoherence is also presented

von Neumann spin measurements with Rashba fields

We show that dynamics in the spin-orbit coupling field simulate the von Neumann measurement of a particle spin. We demonstrate how the measurement influences the spin and coordinate evolution of a particle by comparing two examples of such a procedure. The first example is a simultaneous measurement of spin components, sigma(x) and sigma(y), corresponding to non-commuting operators, which cannot be accurately obtained together at a given time instant due to the Heisenberg uncertainty ratio. By mapping spin dynamics onto a spatial walk, such a procedure determines measurement-time averages of sigma(x) and sigma(y), which can already be precisely evaluated in a single short-time measurement. The other, qualitatively different, example is the spin of a one-dimensional particle in a magnetic field. Here, the measurement outcome depends on the angle between the spin-orbit coupling and magnetic fields. These results can be applied to studies of spin-orbit coupled cold atoms and electrons in solids.

The center of mass and center of charge of the electron

9th Biennial Conference on Classical and Quantum Relativistic Dynamics of Particles and Fields (IARD)