Electronic Energy Transfer: Localized Operator Partitioning of Electronic Energy in Composite Quantum Systems

A Hamiltonian based approach using spatially localized projection operators is introduced to give precise meaning to the chemically intuitive idea of the electronic energy on a quantum subsystem. This definition facilitates the study of electronic energy transfer in arbitrarily coupled quantum systems. In particular, the decomposition scheme can be applied to molecular components that are strongly interacting (with significant orbital overlap) as well as to isolated fragments. The result leads to the proper electronic energy at all internuclear distances, including the case of separated fragments, and reduces to the well-known Forster and Dexter results in their respective limits. Numerical calculations of coherent energy and charge transfer dynamics in simple model systems are presented and the effect of collisionally induced decoherence is examined

Quantum Annealing in a Kinetically Constrained System

Classical and quantum annealing is discussed for a kinetically constrained chain of $N$ non-interacting asymmetric double wells, represented by Ising spins in a longitudinal field $h$. It is shown that in certain cases, where the kinetic constraints may arise from infinitely high but vanishingly narrow barriers appearing in the relaxation path of the system, quantum annealing exploiting the quantum-mechanical penetration of sufficiently narrow barriers may be far more efficient than its thermal counterpart. We have used a semiclassical picture of scattering dynamics to do our simulation for the quantum system.Comment: 5 pages, 3 figure

Structure and binding in crystals of cage-like molecules: hexamine and platonic hydrocarbons

In this paper, we show that first-principle calculations using a van der Waals density functional (vdW-DF), [Phys. Rev. Lett. $\mathbf{92}$, 246401 (2004)] permits determination of molecular crystal structure. We study the crystal structures of hexamine and the platonic hydrocarbons (cubane and dodecahedrane). The calculated lattice parameters and cohesion energy agree well with experiments. Further, we examine the asymptotic accounts of the van der Waals forces by comparing full vdW-DF with asymptotic atom-based pair potentials extracted from vdW-DF. The character of the binding differ in the two cases, with vdW-DF giving a significant enhancement at intermediate and relevant binding separations. We analyze consequences of this result for methods such as DFT-D, and question DFT-D's transferability over the full range of separations

Scale Dependence of the Retarded van der Waals Potential

We study the ground state energy for a system of two hydrogen atoms coupled to the quantized Maxwell field in the limit $\alpha \to 0$ together with the relative distance between the atoms increasing as $\alpha^{-\gamma} R$, $\gamma > 0$. In particular we determine explicitly the crossover function from the $R^{-6}$ van der Waals potential to the $R^{-7}$ retarded van der Waals potential, which takes place at scale $\alpha^{-2} R$.Comment: 19 page

Weak Measurements with Arbitrary Pointer States

The exact conditions on valid pointer states for weak measurements are derived. It is demonstrated that weak measurements can be performed with any pointer state with vanishing probability current density. This condition is found both for weak measurements of noncommuting observables and for $c$-number observables. In addition, the interaction between pointer and object must be sufficiently weak. There is no restriction on the purity of the pointer state. For example, a thermal pointer state is fully valid.Comment: 4 page

Nonclassicality of Thermal Radiation

It is demonstrated that thermal radiation of small occupation number is strongly nonclassical. This includes most forms of naturally occurring radiation. Nonclassicality can be observed as a negative weak value of a positive observable. It is related to negative values of the Margenau-Hill quasi-probability distribution.Comment: 3 pages, 3 figure

Analysis of Keck HIRES spectra of early L-type dwarfs

We present analyses of high resolution and medium resolution spectra of early L dwarfs. We used our latest set of model atmospheres to reproduce and analyze the observed features. We can model the optical flux and the atomic line profiles with the best accuracy to date. The models used to reproduce the observations include dust condensation and dust opacities. Compared to previous studies using older models we find that our dust treatment is much improved. The derived parameters for the objects are well in the expected range for old very low mass objects. This is also supported by the absence of Li in most of the objects. For the objects showing Li we can be almost certain that those are brown dwarfs. However, a spectral analysis in general, and this one in particular can only very roughly determine mass and age.Comment: AASTeX5.0. 26 pages, including all figures, Accepted for Ap

A high-flux 2D MOT source for cold lithium atoms

We demonstrate a novel 2D MOT beam source for cold 6Li atoms. The source is side-loaded from an oven operated at temperatures in the range 600<T<700 K. The performance is analyzed by loading the atoms into a 3D MOT located 220 mm downstream from the source. The maximum recapture rate of ~10^9 /s is obtained for T=700 K and results in a total of up to 10^10 trapped atoms. The recaptured fraction is estimated to be 30(10)% and limited by beam divergence. The most-probable velocity in the beam (alpha_z) is varied from 18 to 70 m/s by increasing the intensity of a push beam. The source is quite monochromatic with a full-width at half maximum velocity spread of 11 m/s at alpha_z=36 m/s, demonstrating that side-loading completely eliminates beam contamination by hot vapor from the oven. We identify depletion of the low-velocity tail of the oven flux as the limiting loss mechanism. Our approach is suitable for other atomic species.Comment: 13 pages,9 figures, submitted to Phys.Rev.

Casimir-Polder interaction between an atom and a small magnetodielectric sphere

On the basis of macroscopic quantum electrodynamics and point-scattering techniques, we derive a closed expression for the Casimir-Polder force between a ground-state atom and a small magnetodielectric sphere in an arbitrary environment. In order to allow for the presence of both bodies and media, local-field corrections are taken into account. Our results are compared with the known van der Waals force between two ground-state atoms. To continuously interpolate between the two extreme cases of a single atom and a macroscopic sphere, we also derive the force between an atom and a sphere of variable radius that is embedded in an Onsager local-field cavity. Numerical examples illustrate the theory.Comment: 9 pages, 4 figures, minor addition