Diagonalization- and Numerical Renormalization-Group-Based Methods for Interacting Quantum Systems

In these lecture notes, we present a pedagogical review of a number of related {\it numerically exact} approaches to quantum many-body problems. In particular, we focus on methods based on the exact diagonalization of the Hamiltonian matrix and on methods extending exact diagonalization using renormalization group ideas, i.e., Wilson's Numerical Renormalization Group (NRG) and White's Density Matrix Renormalization Group (DMRG). These methods are standard tools for the investigation of a variety of interacting quantum systems, especially low-dimensional quantum lattice models. We also survey extensions to the methods to calculate properties such as dynamical quantities and behavior at finite temperature, and discuss generalizations of the DMRG method to a wider variety of systems, such as classical models and quantum chemical problems. Finally, we briefly review some recent developments for obtaining a more general formulation of the DMRG in the context of matrix product states as well as recent progress in calculating the time evolution of quantum systems using the DMRG and the relationship of the foundations of the method with quantum information theory.Comment: 51 pages; lecture notes on numerically exact methods. Pedagogical review appearing in the proceedings of the "IX. Training Course in the Physics of Correlated Electron Systems and High-Tc Superconductors", Vietri sul Mare (Salerno, Italy, October 2004

Time evolution of one-dimensional Quantum Many Body Systems

The level of current understanding of the physics of time-dependent strongly correlated quantum systems is far from complete, principally due to the lack of effective controlled approaches. Recently, there has been progress in the development of approaches for one-dimensional systems. We describe recent developments in the construction of numerical schemes for general (one-dimensional) Hamiltonians: in particular, schemes based on exact diagonalization techniques and on the density matrix renormalization group method (DMRG). We present preliminary results for spinless fermions with nearest-neighbor-interaction and investigate their accuracy by comparing with exact results.Comment: Contribution for the conference proceedings of the "IX. Training Course in the Physics of Correlated Electron Systems and High-Tc Superconductors" held in Vietri sul Mare (Salerno, Italy) in October 200

Time evolution of correlations in strongly interacting fermions after a quantum quench

Using the adaptive time-dependent density matrix renormalization group, we study the time evolution of density correlations of interacting spinless fermions on a one-dimensional lattice after a sudden change in the interaction strength. Over a broad range of model parameters, the correlation function exhibits a characteristic light-cone-like time evolution representative of a ballistic transport of information. Such behavior is observed both when quenching an insulator into the metallic region and also when quenching within the insulating region. However, when a metallic state beyond the quantum critical point is quenched deep into the insulating regime, no indication for ballistic transport is observed. Instead, stable domain walls in the density correlations emerge during the time evolution, consistent with the predictions of the Kibble-Zurek mechanism.Comment: Published version; minor changes, references adde

Entanglement Complexity in Quantum Many-Body Dynamics, Thermalization and Localization

Entanglement is usually quantified by von Neumann entropy, but its properties are much more complex than what can be expressed with a single number. We show that the three distinct dynamical phases known as thermalization, Anderson localization, and many-body localization are marked by different patterns of the spectrum of the reduced density matrix for a state evolved after a quantum quench. While the entanglement spectrum displays Poisson statistics for the case of Anderson localization, it displays universal Wigner-Dyson statistics for both the cases of many-body localization and thermalization, albeit the universal distribution is asymptotically reached within very different time scales in these two cases. We further show that the complexity of entanglement, revealed by the possibility of disentangling the state through a Metropolis-like algorithm, is signaled by whether the entanglement spectrum level spacing is Poisson or Wigner-Dyson distributed.Comment: Minor revision

Dzyaloshinskii-Moriya anisotropy and non-magnetic impurities in the s=1/2s = 1/2 kagome system ZnCu_3(OH)_6Cl_2

Motivated by recent nuclear magnetic resonance experiments on ZnCu$_3$(OH)$_6$Cl$_2$, we present an exact-diagonalization study of the combined effects of non-magnetic impurities and Dzyaloshinskii-Moriya (DM) interactions in the $s = 1/2$ kagome antiferromagnet. The local response to an applied field and correlation-matrix data reveal that the dimer freezing which occurs around each impurity for $D = 0$ persists at least up to $D/J\simeq 0.06$, where $J$ and $D$ denote respectively the exchange and DM interaction energies. The phase transition to the ($Q = 0$) semiclassical, 120$^\circ$ state favored at large $D$ takes place at $D/J\simeq 0.1$. However, the dimers next to the impurity sites remain strong up to values $D \sim J$, far above this critical point, and thus do not participate fully in the ordered state. We discuss the implications of our results for experiments on ZnCu$_3$(OH)$_6$Cl$_2$.Comment: 11 pages, submitted to PR

Flavour-conserving oscillations of Dirac-Majorana neutrinos

We analyze both chirality-changing and chirality-preserving transitions of Dirac-Majorana neutrinos. In vacuum, the first ones are suppressed with respect to the others due to helicity conservation and the interactions with a (``normal'') medium practically does not affect the expressions of the probabilities for these transitions, even if the amplitudes of oscillations slightly change. For usual situations involving relativistic neutrinos we find no resonant enhancement for all flavour-conserving transitions. However, for very light neutrinos propagating in superdense media, the pattern of oscillations $\nu_L \to \nu^C_L$ is dramatically altered with respect to the vacuum case, the transition probability practically vanishing. An application of this result is envisaged.Comment: 14 pages, latex 2E, no figure

Hypoconstrained Jammed Packings of Nonspherical Hard Particles: Ellipses and Ellipsoids

Continuing on recent computational and experimental work on jammed packings of hard ellipsoids [Donev et al., Science, vol. 303, 990-993] we consider jamming in packings of smooth strictly convex nonspherical hard particles. We explain why the isocounting conjecture, which states that for large disordered jammed packings the average contact number per particle is twice the number of degrees of freedom per particle (\bar{Z}=2d_{f}), does not apply to nonspherical particles. We develop first- and second-order conditions for jamming, and demonstrate that packings of nonspherical particles can be jammed even though they are hypoconstrained (\bar{Z}<2d_{f}). We apply an algorithm using these conditions to computer-generated hypoconstrained ellipsoid and ellipse packings and demonstrate that our algorithm does produce jammed packings, even close to the sphere point. We also consider packings that are nearly jammed and draw connections to packings of deformable (but stiff) particles. Finally, we consider the jamming conditions for nearly spherical particles and explain quantitatively the behavior we observe in the vicinity of the sphere point.Comment: 33 pages, third revisio

Densest local packing diversity. II. Application to three dimensions

The densest local packings of N three-dimensional identical nonoverlapping spheres within a radius Rmin(N) of a fixed central sphere of the same size are obtained for selected values of N up to N = 1054. In the predecessor to this paper [A.B. Hopkins, F.H. Stillinger and S. Torquato, Phys. Rev. E 81 041305 (2010)], we described our method for finding the putative densest packings of N spheres in d-dimensional Euclidean space Rd and presented those packings in R2 for values of N up to N = 348. We analyze the properties and characteristics of the densest local packings in R3 and employ knowledge of the Rmin(N), using methods applicable in any d, to construct both a realizability condition for pair correlation functions of sphere packings and an upper bound on the maximal density of infinite sphere packings. In R3, we find wide variability in the densest local packings, including a multitude of packing symmetries such as perfect tetrahedral and imperfect icosahedral symmetry. We compare the densest local packings of N spheres near a central sphere to minimal-energy configurations of N+1 points interacting with short-range repulsive and long-range attractive pair potentials, e.g., 12-6 Lennard-Jones, and find that they are in general completely different, a result that has possible implications for nucleation theory. We also compare the densest local packings to finite subsets of stacking variants of the densest infinite packings in R3 (the Barlow packings) and find that the densest local packings are almost always most similar, as measured by a similarity metric, to the subsets of Barlow packings with the smallest number of coordination shells measured about a single central sphere, e.g., a subset of the FCC Barlow packing. We additionally observe that the densest local packings are dominated by the spheres arranged with centers at precisely distance Rmin(N) from the fixed sphere's center.Comment: 45 pages, 18 figures, 2 table

Self-assembly of the simple cubic lattice with an isotropic potential

Conventional wisdom presumes that low-coordinated crystal ground states require directional interactions. Using our recently introduced optimization procedure to achieve self-assembly of targeted structures (Phys. Rev. Lett. 95, 228301 (2005), Phys. Rev. E 73, 011406 (2006)), we present an isotropic pair potential $V(r)$ for a three-dimensional many-particle system whose classical ground state is the low-coordinated simple cubic (SC) lattice. This result is part of an ongoing pursuit by the authors to develop analytical and computational tools to solve statistical-mechanical inverse problems for the purpose of achieving targeted self-assembly. The purpose of these methods is to design interparticle interactions that cause self-assembly of technologically important target structures for applications in photonics, catalysis, separation, sensors and electronics. We also show that standard approximate integral-equation theories of the liquid state that utilize pair correlation function information cannot be used in the reverse mode to predict the correct simple cubic potential. We report in passing optimized isotropic potentials that yield the body-centered cubic and simple hexagonal lattices, which provide other examples of non-close-packed structures that can be assembled using isotropic pair interactions.Comment: 16 pages, 12 figures. Accepted for publication in Physical Review