Surface crossing and energy flow in many-dimensional quantum systems.

Energy flow in molecules, like the dynamics of other many-dimensional finite systems, involves quantum transport across a dense network of near-resonant states. For molecules in their electronic ground state, the network is ordinarily provided by anharmonic vibrational Fermi resonances. Surface crossing between different electronic states provides another route to chaotic motion and energy redistribution. We show that nonadiabatic coupling between electronic energy surfaces facilitates vibrational energy flow and, conversely, anharmonic vibrational couplings facilitate nonadiabatic electronic state mixing. A generalization of the Logan-Wolynes theory of quantum energy flow in many-dimensional Fermi resonance systems to the two-surface case gives a phase diagram describing the boundary between localized quantum dynamics and global energy flow. We explore these predictions and test them using a model inspired by the problem of electronic excitation energy transfer in the photosynthetic reaction center. Using an explicit numerical solution of the time-dependent Schrödinger equation for this ten-dimensional model, we find quite good agreement with the expectations from the approximate analytical theory.

Localization on Certain Graphs with Strongly Correlated Disorder.

Many-body localization in interacting quantum systems can be cast as a disordered hopping problem on the underlying Fock-space graph. A crucial feature of the effective Fock-space disorder is that the Fock-space site energies are strongly correlated-maximally so for sites separated by a finite distance on the graph. Motivated by this, and to understand the effect of such correlations more fundamentally, we study Anderson localization on Cayley trees and random regular graphs, with maximally correlated disorder. Since such correlations suppress short distance fluctuations in the disorder potential, one might naively suppose they disfavor localization. We find however that there exists an Anderson transition, and indeed that localization is more robust in the sense that the critical disorder scales with graph connectivity K as sqrt[K], in marked contrast to KlnK in the uncorrelated case. This scaling is argued to be intimately connected to the stability of many-body localization. Our analysis centers on an exact recursive formulation for the local propagators as well as a self-consistent mean-field theory; with results corroborated using exact diagonalization.

Two-channel Kondo physics in two-impurity Kondo models.

We consider the non-Fermi-liquid quantum critical state of the spin-S two-impurity Kondo model and its potential realization in a quantum dot device. Using conformal field theory and the numerical renormalization group, we show the critical point to be identical to that of the two-channel Kondo model with additional potential scattering, for any spin S. Distinct conductance signatures are shown to arise as a function of device asymmetry, with the square-root behavior commonly believed to arise at low-energies dominant only in certain regimes.

Tunneling transport and spectroscopy in carbon nanotube quantum dots.

This paper provides a theoretical description of sequential tunneling transport and spectroscopy, in carbon nanotube quantum dots weakly tunnel coupled to metallic leads under a voltage bias. The effects of Coulomb blockade charging, spin-orbit fine structure, and orbital- and spin-Zeeman effects arising from coupling to applied magnetic fields are considered; and the dependence of the conductance upon applied gate voltage, bias voltage, and magnetic fields is determined. The work is motivated by recent experiments on ultraclean carbon nanotube dots [Kuemmeth et al., Nature (London) 452, 448 (2008)], to which comparison is made.

Simple probability distributions on a Fock-space lattice.

We consider some aspects of a standard model employed in studies of many-body localization: interacting spinless fermions with quenched disorder, for non-zero filling fraction, here on d-dimensional hypercubic lattices. The model may be recast as an equivalent tight-binding model on a 'Fock-space (FS) lattice' with an extensive local connectivity. In the thermodynamic limit exact results are obtained for the distributions of local FS coordination numbers, FS site-energies, and the density of many-body states. All such distributions are well captured by exact diagonalisation on the modest system sizes amenable to numerics. Care is however required in choosing the appropriate variance for the eigenvalue distribution, which has implications for reliable identification of mobility edges.

Mott insulators and the doping-induced Mott transition within DMFT: exact results for the one-band Hubbard model.

The paramagnetic phase of the one-band Hubbard model is studied at zero-temperature, within the framework of dynamical mean-field theory, and for general particle-hole asymmetry where a doping-induced Mott transition occurs. Our primary focus is the Mott insulator (MI) phase, and our main aim to establish what can be shown exactly about it. To handle the locally doubly-degenerate MI requires two distinct self-energies, which reflect the broken symmetry nature of the phase and together determine the standard single self-energy. Exact results are obtained for the local charge, local magnetic moment and associated spin susceptibilities, the interaction-renormalised levels, and the low-energy behaviour of the self-energy in the MI phase. The metallic phase is also considered briefly, and shown to acquire an emergent particle-hole symmetry as the Mott transition is approached. Throughout the metal, Luttinger's theorem is reflected in the vanishing of the Luttinger integral; for the generic MI by contrast this is shown to be non-vanishing, but again to have a universal magnitude. Numerical results are also obtained using NRG, for the metal/MI phase boundary, the scaling behaviour of the charge as the Mott transition is aproached from the metal, and associated universal scaling of single-particle dynamics as the low-energy Kondo scale vanishes.

Mott transitions in the periodic Anderson model.

The periodic Anderson model (PAM) is studied within the framework of dynamical mean-field theory, with particular emphasis on the interaction-driven Mott transition it contains, and on resultant Mott insulators of both Mott-Hubbard and charge-transfer type. The form of the PAM phase diagram is first deduced on general grounds using two exact results, over the full range of model parameters and including metallic, Mott, Kondo and band insulator phases. The effective low-energy model which describes the PAM in the vicinity of a Mott transition is then shown to be a one-band Hubbard model, with effective hoppings that are not in general solely nearest neighbour, but decay exponentially with distance. This mapping is shown to have a range of implications for the physics of the problem, from phase boundaries to single-particle dynamics; all of which are confirmed and supplemented by NRG calculations. Finally we consider the locally degenerate, non-Fermi liquid Mott insulator, to describe which requires a two-self-energy description. This is shown to yield a number of exact results for the associated local moment, charge, and interaction-renormalised levels, together with a generalisation of Luttinger's theorem to the Mott insulator.

Local quantum critical point in the pseudogap anderson model: finite-T dynamics and omega/T scaling.

The pseudogap Anderson impurity model is a paradigm for locally critical quantum phase transitions. Within the framework of the local moment approach we study its finite-T dynamics, as embodied in the single-particle spectrum, in the vicinity of the symmetric quantum critical point (QCP) separating generalized Fermi liquid (Kondo screened) and local moment phases. The scaling spectra in both phases, and at the QCP itself, are obtained analytically. A key result is that pure omega/T scaling obtains at the QCP, where the Kondo resonance has just collapsed. The connection between the scaling spectra in either phase and that at the QCP is explored in detail.

Local moment formation and Kondo screening in impurity trimers.

We study theoretically a triangular cluster of three magnetic impurities, hybridizing locally with conduction electrons of a metallic host. Such a cluster is the simplest to exhibit frustration, an important generic feature of many complex molecular systems in which different interactions compete. Here, low-energy doublet states of the trimer are favored by effective exchange interactions produced by strong electronic repulsion in localized impurity orbitals. Parity symmetry protects a level crossing of such states on tuning microscopic parameters, while an avoided crossing arises in the general distorted case. Upon coupling to a metallic host, the behavior is shown to be immensely rich because collective quantum many-body effects now also compete. In particular, impurity degrees of freedom are totally screened at low temperatures in a Kondo-screened Fermi liquid phase, while degenerate ground states persist in a local moment phase. Local frustration drives the quantum phase transition between the two, which may be first order or of Kosterlitz-Thouless type, depending on symmetries. Unusual mechanisms for local moment formation and Kondo screening are found due to the orbital structure of the impurity trimer. Our results are of relevance for triple quantum dot devices. The problem is studied by a combination of analytical arguments and the numerical renormalization group.

A local moment approach to the degenerate Anderson impurity model.

The local moment approach is extended to the orbitally degenerate (SU(2N)) Anderson impurity model (AIM). Single-particle dynamics are obtained over the full range of energy scales, focusing on particle-hole symmetry in the strongly-correlated regime where the onsite Coulomb interaction leads to many-body Kondo physics with entangled spin and orbital degrees of freedom. The approach captures many-body broadening of the Hubbard satellites and recovers the correct exponential vanishing of the Kondo scale for all N, and its universal scaling spectra are found to be in very good agreement with numerical renormalization group (NRG) results. In particular the high-frequency logarithmic decays of the scaling spectra, obtained here in closed form for arbitrary N, coincide essentially perfectly with available numerics from the NRG. A particular case of an anisotropic Coulomb interaction, in which the model represents a system of N 'capacitively coupled' SU(2) AIMs, is also discussed. Here the model is generally characterized by two low-energy scales, the crossover between which is seen directly in its dynamics.

Zero-bias conductance in carbon nanotube quantum dots.

We present numerical renormalization group calculations for the zero-bias conductance of quantum dots made from semiconducting carbon nanotubes. These explain and reproduce the thermal evolution of the conductance for different groups of orbitals, as the dot-lead tunnel coupling is varied and the system evolves from correlated Kondo behavior to more weakly correlated regimes. For integer fillings N=1, 2, 3 of an SU(4) model, we find universal scaling behavior of the conductance that is distinct from the standard SU(2) universal conductance, and concurs quantitatively with experiment. Our results also agree qualitatively with experimental differential conductance maps.

Quantum phase transition in capacitively coupled double quantum dots.

We investigate two equivalent, capacitively coupled semiconducting quantum dots, each coupled to its own lead, in a regime where there are two electrons on the double dot. With increasing interdot coupling, a rich range of behavior is uncovered: first a crossover from spin- to charge-Kondo physics, via an intermediate SU(4) state with entangled spin and charge degrees of freedom, followed by a quantum phase transition of Kosterlitz-Thouless type to a non-Fermi-liquid "charge-ordered" phase with finite residual entropy and anomalous transport properties. Physical arguments and numerical renormalization group methods are employed to obtain a detailed understanding of the problem.