Numerical Renormalization Group for Impurity Quantum Phase Transitions: Structure of Critical Fixed Points

The numerical renormalization group method is used to investigate zero temperature phase transitions in quantum impurity systems, in particular in the particle-hole symmetric soft-gap Anderson model. The model displays two stable phases whose fixed points can be built up of non-interacting single-particle states. In contrast, the quantum phase transitions turn out to be described by interacting fixed points, and their excitations cannot be described in terms of free particles. We show that the structure of the many-body spectrum of these critical fixed points can be understood using renormalized perturbation theory close to certain values of the bath exponents which play the role of critical dimensions. Contact is made with perturbative renormalization group calculations for the soft-gap Anderson and Kondo models. A complete description of the quantum critical many-particle spectra is achieved using suitable marginal operators; technically this can be understood as epsilon-expansion for full many-body spectra.Comment: 14 pages, 12 figure

Spectral scaling and quantum critical behaviour in the pseudogap Anderson model

The pseudogap Anderson impurity model provides a classic example of an essentially local quantum phase transition. Here we study its single-particle dynamics in the vicinity of the symmetric quantum critical point (QCP) separating generalized Fermi liquid and local moment phases, via the local moment approach. Both phases are shown to be characterized by a low-energy scale that vanishes at the QCP; and the universal scaling spectra, on all energy scales, are obtained analytically. The spectrum precisely at the QCP is also obtained; its form showing clearly the non-Fermi liquid, interacting nature of the fixed point.Comment: 7 pages, 2 figure

Multiple-charge transfer and trapping in DNA dimers

We investigate the charge transfer characteristics of one and two excess charges in a DNA base-pair dimer using a model Hamiltonian approach. The electron part comprises diagonal and off-diagonal Coulomb matrix elements such a correlated hopping and the bond-bond interaction, which were recently calculated by Starikov [E. B. Starikov, Phil. Mag. Lett. {\bf 83}, 699 (2003)] for different DNA dimers. The electronic degrees of freedom are coupled to an ohmic or a super-ohmic bath serving as dissipative environment. We employ the numerical renormalization group method in the nuclear tunneling regime and compare the results to Marcus theory for the thermal activation regime. For realistic parameters, the rate that at least one charge is transferred from the donor to the acceptor in the subspace of two excess electrons significantly exceeds the rate in the single charge sector. Moreover, the dynamics is strongly influenced by the Coulomb matrix elements. We find sequential and pair transfer as well as a regime where both charges remain self-trapped. The transfer rate reaches its maximum when the difference of the on-site and inter-site Coulomb matrix element is equal to the reorganization energy which is the case in a GC-GC dimer. Charge transfer is completely suppressed for two excess electrons in AT-AT in an ohmic bath and replaced by damped coherent electron-pair oscillations in a super-ohmic bath. A finite bond-bond interaction $W$ alters the transfer rate: it increases as function of $W$ when the effective Coulomb repulsion exceeds the reorganization energy (inverted regime) and decreases for smaller Coulomb repulsion

Single-particle dynamics of the Anderson model: a two-self-energy description within the numerical renormalization group approach

Single-particle dynamics of the Anderson impurity model are studied using both the numerical renormalization group (NRG) method and the local moment approach (LMA). It is shown that a 'two-self-energy' description of dynamics inherent to the LMA, as well as a conventional 'single-self-energy' description, arise within NRG; each yielding correctly the same local single-particle spectrum. Explicit NRG results are obtained for the broken symmetry spectral constituents arising in a two-self-energy description, and the total spectrum. These are also compared to analytical results obtained from the LMA as implemented in practice. Very good agreement between the two is found, essentially on all relevant energy scales from the high-energy Hubbard satellites to the low-energy Kondo resonance.Comment: 12 pages, 6 figure

A spin-dependent local moment approach to the Anderson impurity model

We present an extension of the local moment approach to the Anderson impurity model with spin-dependent hybridization. By employing the two-self-energy description, as originally proposed by Logan and co-workers, we applied the symmetry restoration condition for the case with spin-dependent hybridization. Self-consistent ground states were determined through variational minimization of the ground state energy. The results obtained with our spin-dependent local moment approach applied to a quantum dot system coupled to ferromagnetic leads are in good agreement with those obtained from previous work using numerical renormalization group calculations

Generalized Wilson Chain for solving multichannel quantum impurity problems

The Numerical Renormalization Group is used to solve quantum impurity problems, which describe magnetic impurities in metals, nanodevices, and correlated materials within DMFT. Here we present a simple generalization of the Wilson Chain, which improves the scaling of computational cost with the number of channels/bands, bringing new problems within reach. The method is applied to calculate the t-matrix of the three-channel Kondo model at T=0, which shows universal crossovers near non-Fermi liquid critical points. A non-integrable three-impurity problem with three bands is also studied, revealing a rich phase diagram and novel screening/overscreening mechanisms.Comment: 5 pages + 5 pages supplementary materia

NRG for the bosonic single-impurity Anderson model: Dynamics

The bosonic single-impurity Anderson model (B-SIAM) is studied to understand the local dynamics of an atomic quantum dot (AQD) coupled to a Bose-Einstein condensation (BEC) state, which can be implemented to probe the entanglement and the decoherence of a macroscopic condensate. Our recent approach of the numerical renormalization group (NRG) calculation for the B-SIAM revealed a zero-temperature phase diagram, where a Mott phase with local depletion of normal particles is separated from a BEC phase with enhanced density of the condensate. As an extension of the previous work, we present the calculations of the local dynamical quantities of the B-SIAM which reinforce our understanding of the physics in the Mott and the BEC phases.Comment: 12 pages, 13 figure

A Local Moment Approach to magnetic impurities in gapless Fermi systems

A local moment approach is developed for the single-particle excitations of a symmetric Anderson impurity model (AIM), with a soft-gap hybridization vanishing at the Fermi level with a power law r > 0. Local moments are introduced explicitly from the outset, and a two-self-energy description is employed in which the single-particle excitations are coupled dynamically to low-energy transverse spin fluctuations. The resultant theory is applicable on all energy scales, and captures both the spin-fluctuation regime of strong coupling (large-U), as well as the weak coupling regime. While the primary emphasis is on single particle dynamics, the quantum phase transition between strong coupling (SC) and (LM) phases can also be addressed directly; for the spin-fluctuation regime in particular a number of asymptotically exact results are thereby obtained. Results for both single-particle spectra and SC/LM phase boundaries are found to agree well with recent numerical renormalization group (NRG) studies. A number of further testable predictions are made; in particular, for r < 1/2, spectra characteristic of the SC state are predicted to exhibit an r-dependent universal scaling form as the SC/LM phase boundary is approached and the Kondo scale vanishes. Results for the `normal' r = 0 AIM are moreover recovered smoothly from the limit r -> 0, where the resultant description of single-particle dynamics includes recovery of Doniach-Sunjic tails in the Kondo resonance, as well as characteristic low-energy Fermi liquid behaviour.Comment: 52 pages, 19 figures, submitted to Journal of Physics: Condensed Matte

Magnetic properties of the Anderson model: a local moment approach

We develop a local moment approach to static properties of the symmetric Anderson model in the presence of a magnetic field, focussing in particular on the strong coupling Kondo regime. The approach is innately simple and physically transparent; but is found to give good agreement, for essentially all field strengths, with exact results for the Wilson ratio, impurity magnetization, spin susceptibility and related properties.Comment: 7 pages, 3 postscript figues. Latex 2e using the epl.cls Europhysics Letters macro packag

Anderson impurities in gapless hosts: comparison of renormalization group and local moment approaches

The symmetric Anderson impurity model, with a soft-gap hybridization vanishing at the Fermi level with power law r > 0, is studied via the numerical renormalization group (NRG). Detailed comparison is made with predictions arising from the local moment approach (LMA), a recently developed many-body theory which is found to provide a remarkably successful description of the problem. Results for the `normal' (r = 0) impurity model are obtained as a specific case. Particular emphasis is given both to single-particle excitation dynamics, and to the transition between the strong coupling (SC) and local moment (LM) phases of the model. Scaling characteristics and asymptotic behaviour of the SC/LM phase boundaries are considered. Single-particle spectra are investigated in some detail, for the SC phase in particular. Here, the modified spectral functions are found to contain a generalized Kondo resonance that is ubiquitously pinned at the Fermi level; and which exhibits a characteristic low-energy Kondo scale that narrows progressively upon approach to the SC->LM transition, where it vanishes. Universal scaling of the spectra as the transition is approached thus results. The scaling spectrum characteristic of the normal Anderson model is recovered as a particular case, and is captured quantitatively by the LMA. In all cases the r-dependent scaling spectra are found to possess characteristic low-energy asymptotics, but to be dominated by generalized Doniach-Sunjic tails, in agreement with LMA predictions.Comment: 26 pages, 14 figures, submitted for publicatio