Resolving the notorious case of conical intersections for coupled cluster dynamics

The motion of electrons and nuclei in photochemical events often involve conical intersections, degeneracies between electronic states. They serve as funnels for nuclear relaxation - on the femtosecond scale - in processes where the electrons and nuclei couple nonadiabatically. Accurate ab initio quantum chemical models are essential for interpreting experimental measurements of such phenomena. In this paper we resolve a long-standing problem in coupled cluster theory, presenting the first formulation of the theory that correctly describes conical intersections between excited electronic states of the same symmetry. This new development demonstrates that the highly accurate coupled cluster theory can be applied to describe dynamics on excited electronic states involving conical intersections.Comment: 8 pages and 3 figures and including supporting information (with corrections and improved notation

A Two-Parameter Recursion Formula For Scalar Field Theory

We present a two-parameter family of recursion formulas for scalar field theory. The first parameter is the dimension $(D)$. The second parameter ($\zeta$) allows one to continuously extrapolate between Wilson's approximate recursion formula and the recursion formula of Dyson's hierarchical model. We show numerically that at fixed $D$, the critical exponent $\gamma$ depends continuously on $\zeta$. We suggest the use of the $\zeta -$independence as a guide to construct improved recursion formulas.Comment: 7 pages, uses Revtex, one Postcript figur

Resonance Production on Nuclei at High Energies: Nuclear-Medium Effects and Space-Time Picture

The influence of nuclear matter on the properties of coherently produced resonances is discussed. It is shown that, in general, the mass distribution of resonance decay products has a two-component structure corresponding to decay outside and inside the nucleus. The first (narrow) component of the amplitude has a Breit-Wigner form determined by the vacuum values of mass and width of the resonance. The second (broad) component corresponds to interactions of the resonance with the nuclear medium. It can be also described by a Breit-Wigner shape with parameters depending e.g. on the nuclear density and on the cross section of the resonance-nucleon interaction. The resonance production is examined both at intermediate energies, where interactions with the nucleus can be considered as a series of successive local rescatterings, and at high energies, $E>E_{crit}$, where a change of interaction picture occurs. This change of mechanisms of the interactions with the nucleus is typical for the description within the Regge theory approach and is connected with the nonlocal nature of the reggeon interaction.Comment: 22 pages LaTeX, 1 Postscript file containing 7 figures; addition in beginning of Ch. 2; Nucl. Phys. A, to be publishe

High-Accuracy Calculations of the Critical Exponents of Dyson's Hierarchical Model

We calculate the critical exponent gamma of Dyson's hierarchical model by direct fits of the zero momentum two-point function, calculated with an Ising and a Landau-Ginzburg measure, and by linearization about the Koch-Wittwer fixed point. We find gamma= 1.299140730159 plus or minus 10^(-12). We extract three types of subleading corrections (in other words, a parametrization of the way the two-point function depends on the cutoff) from the fits and check the value of the first subleading exponent from the linearized procedure. We suggest that all the non-universal quantities entering the subleading corrections can be calculated systematically from the non-linear contributions about the fixed point and that this procedure would provide an alternative way to introduce the bare parameters in a field theory model.Comment: 15 pages, 9 figures, uses revte

Evidence for Complex Subleading Exponents from the High-Temperature Expansion of the Hierarchical Ising Model

Using a renormalization group method, we calculate 800 high-temperature coefficients of the magnetic susceptibility of the hierarchical Ising model. The conventional quantities obtained from differences of ratios of coefficients show unexpected smooth oscillations with a period growing logarithmically and can be fitted assuming corrections to the scaling laws with complex exponents.Comment: 10 pages, Latex , uses revtex. 2 figures not included (hard copies available on request

A Guide to Precision Calculations in Dyson's Hierarchical Scalar Field Theory

The goal of this article is to provide a practical method to calculate, in a scalar theory, accurate numerical values of the renormalized quantities which could be used to test any kind of approximate calculation. We use finite truncations of the Fourier transform of the recursion formula for Dyson's hierarchical model in the symmetric phase to perform high-precision calculations of the unsubtracted Green's functions at zero momentum in dimension 3, 4, and 5. We use the well-known correspondence between statistical mechanics and field theory in which the large cut-off limit is obtained by letting beta reach a critical value beta_c (with up to 16 significant digits in our actual calculations). We show that the round-off errors on the magnetic susceptibility grow like (beta_c -beta)^{-1} near criticality. We show that the systematic errors (finite truncations and volume) can be controlled with an exponential precision and reduced to a level lower than the numerical errors. We justify the use of the truncation for calculations of the high-temperature expansion. We calculate the dimensionless renormalized coupling constant corresponding to the 4-point function and show that when beta -> beta_c, this quantity tends to a fixed value which can be determined accurately when D=3 (hyperscaling holds), and goes to zero like (Ln(beta_c -beta))^{-1} when D=4.Comment: Uses revtex with psfig, 31 pages including 15 figure

Transient measurement results of pulse propagation in large GTEM cells

This contribution deals with the results of a transient measurement campaign incorporating ultra-wideband (UWB) pulses applied to a large GTEM cell. The main purpose is to analyse the distortion effects on such a feeding pulse when transformed into a field pulse inside the cells testing volume. We will investigate if the TEM field distribution is interfered by multimode propagation, that may lead to location-dependent pulse distortion and ringing. Finally, conclusions on the applicability of GTEM cells for standardized transient EMC measurements will be drawn. © Author(s) 2008

Phonon-affected steady-state transport through molecular quantum dots

We consider transport through a vibrating molecular quantum dot contacted to macroscopic leads acting as charge reservoirs. In the equilibrium and nonequilibrium regime, we study the formation of a polaron-like transient state at the quantum dot for all ratios of the dot-lead coupling to the energy of the local phonon mode. We show that the polaronic renormalization of the dot-lead coupling is a possible mechanism for negative differential conductance. Moreover, the effective dot level follows one of the lead chemical potentials to enhance resonant transport, causing novel features in the inelastic tunneling signal. In the linear response regime, we investigate the impact of the electron-phonon interaction on the thermoelectrical properties of the quantum dot device.Comment: 11 pages, 7 figures, FQMT11 Proceeding

A para-differential renormalization technique for nonlinear dispersive equations

For \alpha \in (1,2) we prove that the initial-value problem \partial_t u+D^\alpha\partial_x u+\partial_x(u^2/2)=0 on \mathbb{R}_x\times\mathbb{R}_t; u(0)=\phi, is globally well-posed in the space of real-valued L^2-functions. We use a frequency dependent renormalization method to control the strong low-high frequency interactions.Comment: 42 pages, no figure