Scattering in Terms of Bohmian Conditional Wave Functions for Scenarios with Non-Commuting Energy and Momentum Operators

Without access to the full quantum state, modeling quantum transport in mesoscopic systems requires dealing with a limited number of degrees of freedom. In this work, we analyze the possibility of modeling the perturbation induced by non-simulated degrees of freedom on the simulated ones as a transition between single-particle pure states. First, we show that Bohmian conditional wave functions (BCWFs) allow for a rigorous discussion of the dynamics of electrons inside open quantum systems in terms of single-particle time-dependent pure states, either under Markovian or non-Markovian conditions. Second, we discuss the practical application of the method for modeling light–matter interaction phenomena in a resonant tunneling device, where a single photon interacts with a single electron. Third, we emphasize the importance of interpreting such a scattering mechanism as a transition between initial and final single-particle BCWF with well-defined central energies (rather than with well-defined central momenta).     

Quantum Probes for the Characterization of Nonlinear Media

Active optical media leading to interaction Hamiltonians of the form H=λ˜(a+a†)ζ represent a crucial resource for quantum optical technology. In this paper, we address the characterization of those nonlinear media using quantum probes, as opposed to semiclassical ones. In particular, we investigate how squeezed probes may improve individual and joint estimation of the nonlinear coupling λ˜ and of the nonlinearity order ζ. Upon using tools from quantum estimation, we show that: (i) the two parameters are compatible, i.e., the may be jointly estimated without additional quantum noise; (ii) the use of squeezed probes improves precision at fixed overall energy of the probe; (iii) for low energy probes, squeezed vacuum represent the most convenient choice, whereas for increasing energy an optimal squeezing fraction may be determined; (iv) using optimized quantum probes, the scaling of the corresponding precision with energy improves, both for individual and joint estimation of the two parameters, compared to semiclassical coherent probes. We conclude that quantum probes represent a resource to enhance precision in the characterization of nonlinear media, and foresee potential applications with current technology.     

Discrete negative refraction in photonic crystal waveguide arrays

We report a systematic analysis of anomalous refractive effects at interfaces between two photonic crystal waveguide arrays. Discrete negative refraction can be easily predicted from the sign of the coupling coefficient between adjacent waveguides, regardless of handedness of propagation.     

Liquid-liquid phase separation of a surfactant-solubilized membrane protein

Solubilization of membrane proteins requires surfactants, whose structural properties play a crucial role in determining the protein phase behavior. We show that ionization of a pH-sensitive surfactant, lauryldymethylamino-N-oxide, bound to the bacterial photosynthetic Reaction Center, induces protein phase segregation in micrometric "droplets." Liquid-liquid phase separation takes place in a narrow pH range, is promoted by increasing temperature, and vanishes by adding salt. After a fast initial droplet growth, the nearly arrested kinetics at a later stage leaves the system in a finely divided, long-lasting emulsified state.     

An alternative for moduli stabilisation

The one-loop vacuum energy is explicitly computed for a class of perturbative string vacua where supersymmetry is spontaneously broken by a T-duality invariant asymmetric Scherk–Schwarz deformation. The low-lying spectrum is tachyon-free for any value of the compactification radii and thus no Hagedorn-like phase-transition takes place. Indeed, the induced effective potential is free of divergence, and has a global anti-de Sitter minimum where geometric moduli are naturally stabilised.     

Realistic quantitative descriptions of electron transfer reactions: diabatic free-energy surfaces from first-principles molecular dynamics

A general approach to calculate the diabatic surfaces for electron-transfer reactions is presented, based on first-principles molecular dynamics of the active centers and their surrounding medium. The excitation energy corresponding to the transfer of an electron at any given ionic configuration (the Marcus energy gap) is accurately assessed within ground-state density-functional theory via a novel penalty functional for oxidation-reduction reactions that appropriately acts on the electronic degrees of freedom alone. The self-interaction error intrinsic to common exchange-correlation functionals is also corrected by the same penalty functional. The diabatic free-energy surfaces are then constructed from umbrella sampling on large ensembles of configurations. As a paradigmatic case study, the self-exchange reaction between ferrous and ferric ions in water is studied in detail.     

Electronic-enthalpy functional for finite systems under pressure

We introduce the notion of electronic enthalpy for first-principles structural and dynamical calculations of finite systems under pressure. An external pressure field is allowed to act directly on the electronic structure of the system studied via the ground-state minimization of the functional E+PV(q), where V(q) is the quantum volume enclosed by a charge isosurface. The Hellmann-Feynman theorem applies, and assures that the ionic equations of motion follow an isoenthalpic dynamics. No pressurizing medium is explicitly required, while coatings of environmental ions or ligands can be introduced if chemically relevant. We apply this novel approach to the study of group-IV nanoparticles during a shock wave, highlighting the significant differences in the plastic or elastic response of the diamond cage under load, and their potential use as novel nanostructured impact-absorbing materials.     

Enhanced downconversion of UV light by resonant scattering of aluminum nanoparticles

Metallic nanoparticles are known to enhance nonlinear optical processes due to a local enhancement of the optical field. This strategy has been proposed to enhance downconversion in thin film solar cells, but has various disadvantages, among which is the fact that the enhancement occurs only in a tiny volume close to the particles. We report on a very different physical mechanism that can lead to significant downconversion enhancement, namely, that of resonant light scattering, and which is a large volume effect. We show that only a tiny amount of resonantly scattering metallic (aluminum) nanoparticles is enough to create a significant enhancement of the fluorescence of dye molecules in the visible wavelength range. The strategy can be applied in general to increase the emission of UV-absorbing constituents, and is of particular use for solar energy.     

Key interaction patterns in proteins revealed by cluster expansion of the partition function

The European Physical Journal E -