Resonance Lifetimes from Complex Densities

The ab-initio calculation of resonance lifetimes of metastable anions challenges modern quantum-chemical methods. The exact lifetime of the lowest-energy resonance is encoded into a complex "density" that can be obtained via complex-coordinate scaling. We illustrate this with one-electron examples and show how the lifetime can be extracted from the complex density in much the same way as the ground-state energy of bound systems is extracted from its ground-state density

Many Body Theory of Charge Transfer in Hyperthermal Atomic Scattering

We use the Newns-Anderson Hamiltonian to describe many-body electronic processes that occur when hyperthermal alkali atoms scatter off metallic surfaces. Following Brako and Newns, we expand the electronic many-body wavefunction in the number of particle-hole pairs (we keep terms up to and including a single particle-hole pair). We extend their earlier work by including level crossings, excited neutrals and negative ions. The full set of equations of motion are integrated numerically, without further approximations, to obtain the many-body amplitudes as a function of time. The velocity and work-function dependence of final state quantities such as the distribution of ion charges and excited atomic occupancies are compared with experiment. In particular, experiments that scatter alkali ions off clean Cu(001) surfaces in the energy range 5 to 1600 eV constrain the theory quantitatively. The neutralization probability of Na$^+$ ions shows a minimum at intermediate velocity in agreement with the theory. This behavior contrasts with that of K$^+$, which shows ... (7 figures, not included. Figure requests: [email protected])Comment: 43 pages, plain TeX, BUP-JBM-

Concave Plasmonic Particles: Broad-Band Geometrical Tunability in the Near Infra-Red

Optical resonances spanning the Near and Short Infra-Red spectral regime were exhibited experimentally by arrays of plasmonic nano-particles with concave cross-section. The concavity of the particle was shown to be the key ingredient for enabling the broad band tunability of the resonance frequency, even for particles with dimensional aspect ratios of order unity. The atypical flexibility of setting the resonance wavelength is shown to stem from a unique interplay of local geometry with surface charge distributions

Robust plasmon waveguides in strongly-interacting nanowire arrays

Arrays of parallel metallic nanowires are shown to provide a tunable, robust, and versatile platform for plasmon interconnects, including high-curvature turns with minimum signal loss. The proposed guiding mechanism relies on gap plasmons existing in the region between adjacent nanowires of dimers and multi-wire arrays. We focus on square and circular silver nanowires in silica, for which excellent agreement between both boundary element method and multiple multipolar expansion calculations is obtained. Our work provides the tools for designing plasmon-based interconnects and achieving high degree of integration with minimum cross talk between adjacent plasmon guides.Comment: 4 pages, 5 figure

Compilation of extended recursion in call-by-value functional languages

This paper formalizes and proves correct a compilation scheme for mutually-recursive definitions in call-by-value functional languages. This scheme supports a wider range of recursive definitions than previous methods. We formalize our technique as a translation scheme to a lambda-calculus featuring in-place update of memory blocks, and prove the translation to be correct.Comment: 62 pages, uses pi

Room Temperature Kondo effect in atom-surface scattering: dynamical 1/N approach

The Kondo effect may be observable in some atom-surface scattering experiments, in particular, those involving alkaline-earth atoms. By combining Keldysh techniques with the NCA approximation to solve the time-dependent Newns-Anderson Hamiltonian in the infinite-U limit, Shao, Nordlander and Langreth found an anomalously strong surface-temperature dependence of the outgoing charge state fractions. Here we employ the dynamical 1/N expansion with finite Coulomb interaction U to provide a more realistic description of the scattering process. We test the accuracy of the 1/N expansion in the spinless N = 1 case against the exact independent-particle solution. We then compare results obtained in the infinite-U limit with the NCA approximation and recover qualitative features found previously. Finally, we analyze the realistic situation of Ca atoms with U = 5.8 eV scattered off Cu(001) surfaces. Although the presence of the doubly-ionized Ca species can change the absolute scattered positive Ca yields, the temperature dependence is qualitatively the same as that found in the infinite-U limit. One of the main difficulties that experimentalists face in attempting to detect this effect is that the atomic velocity must be kept small enough to reduce possible kinematic smearing of the metal's Fermi surface.Comment: 15 pages, 10 Postscript figures; references and typos correcte

Tractable non-local correlation density functionals for flat surfaces and slabs

A systematic approach for the construction of a density functional for van der Waals interactions that also accounts for saturation effects is described, i.e. one that is applicable at short distances. A very efficient method to calculate the resulting expressions in the case of flat surfaces, a method leading to an order reduction in computational complexity, is presented. Results for the interaction of two parallel jellium slabs are shown to agree with those of a recent RPA calculation (J.F. Dobson and J. Wang, Phys. Rev. Lett. 82, 2123 1999). The method is easy to use; its input consists of the electron density of the system, and we show that it can be successfully approximated by the electron densities of the interacting fragments. Results for the surface correlation energy of jellium compare very well with those of other studies. The correlation-interaction energy between two parallel jellia is calculated for all separations d, and substantial saturation effects are predicted.Comment: 10 pages, 6 figure

The Kondo Effect in Non-Equilibrium Quantum Dots: Perturbative Renormalization Group

While the properties of the Kondo model in equilibrium are very well understood, much less is known for Kondo systems out of equilibrium. We study the properties of a quantum dot in the Kondo regime, when a large bias voltage V and/or a large magnetic field B is applied. Using the perturbative renormalization group generalized to stationary nonequilibrium situations, we calculate renormalized couplings, keeping their important energy dependence. We show that in a magnetic field the spin occupation of the quantum dot is non-thermal, being controlled by V and B in a complex way to be calculated by solving a quantum Boltzmann equation. We find that the well-known suppression of the Kondo effect at finite V>>T_K (Kondo temperature) is caused by inelastic dephasing processes induced by the current through the dot. We calculate the corresponding decoherence rate, which serves to cut off the RG flow usually well inside the perturbative regime (with possible exceptions). As a consequence, the differential conductance, the local magnetization, the spin relaxation rates and the local spectral function may be calculated for large V,B >> T_K in a controlled way.Comment: 9 pages, invited paper for a special edition of JPSJ "Kondo Effect -- 40 Years after the Discovery", some typos correcte