Improved numerical methods for infinite spin chains with long-range interactions

We present several improvements of the infinite matrix product state (iMPS) algorithm for finding ground states of one-dimensional quantum systems with long-range interactions. As a main new ingredient we introduce the superposed multi-optimization (SMO) method, which allows an efficient optimization of exponentially many MPS of different length at different sites all in one step. Hereby the algorithm becomes protected against position dependent effects as caused by spontaneously broken translational invariance. So far, these have been a major obstacle to convergence for the iMPS algorithm if no prior knowledge of the systems translational symmetry was accessible. Further, we investigate some more general methods to speed up calculations and improve convergence, which might be partially interesting in a much broader context, too. As a more special problem, we also look into translational invariant states close to an invariance braking phase transition and show how to avoid convergence into wrong local minima for such systems. Finally, we apply the new methods to polar bosons with long-range interactions. We calculate several detailed Devil's Staircases with the corresponding phase diagrams and investigate some supersolid properties.Comment: Main text: 17 pages plus references, 8 figures. Supplementary info: 6 pages. v2: improved presentation and more results adde

Collective vibrational states with fast iterative QRPA method

An iterative method we previously proposed to compute nuclear strength functions is developed to allow it to accurately calculate properties of individual nuclear states. The approach is based on the quasi-particle-random-phase approximation (QRPA) and uses an iterative non-hermitian Arnoldi diagonalization method where the QRPA matrix does not have to be explicitly calculated and stored. The method gives substantial advantages over conventional QRPA calculations with regards to the computational cost. The method is used to calculate excitation energies and decay rates of the lowest lying 2+ and 3- states in Pb, Sn, Ni and Ca isotopes using three different Skyrme interactions and a separable gaussian pairing force.Comment: 10 pages, 11 figure

A discrete time-dependent method for metastable atoms in intense fields

The full-dimensional time-dependent Schrodinger equation for the electronic dynamics of single-electron systems in intense external fields is solved directly using a discrete method. Our approach combines the finite-difference and Lagrange mesh methods. The method is applied to calculate the quasienergies and ionization probabilities of atomic and molecular systems in intense static and dynamic electric fields. The gauge invariance and accuracy of the method is established. Applications to multiphoton ionization of positronium and hydrogen atoms and molecules are presented. At very high intensity above saturation threshold, we extend the method using a scaling technique to estimate the quasienergies of metastable states of the hydrogen molecular ion. The results are in good agreement with recent experiments.Comment: 10 pages, 9 figure, 4 table

Extreme multiplicity in cylindrical Rayleigh-Benard convection: II. Bifurcation diagram and symmetry classification

A large number of flows with distinctive patterns have been observed in experiments and simulations of Rayleigh-Benard convection in a water-filled cylinder whose radius is twice the height. We have adapted a time-dependent pseudospectral code, first, to carry out Newton's method and branch continuation and, second, to carry out the exponential power method and Arnoldi iteration to calculate leading eigenpairs and determine the stability of the steady states. The resulting bifurcation diagram represents a compromise between the tendency in the bulk towards parallel rolls, and the requirement imposed by the boundary conditions that primary bifurcations be towards states whose azimuthal dependence is trigonometric. The diagram contains 17 branches of stable and unstable steady states. These can be classified geometrically as roll states containing two, three, and four rolls; axisymmetric patterns with one or two tori; three-fold symmetric patterns called mercedes, mitubishi, marigold and cloverleaf; trigonometric patterns called dipole and pizza; and less symmetric patterns called CO and asymmetric three-rolls. The convective branches are connected to the conductive state and to each other by 16 primary and secondary pitchfork bifurcations and turning points. In order to better understand this complicated bifurcation diagram, we have partitioned it according to azimuthal symmetry. We have been able to determine the bifurcation-theoretic origin from the conductive state of all the branches observed at high Rayleigh number

Bogoliubov modes of a dipolar condensate in a cylindrical trap

The calculation of properties of Bose-Einstein condensates with dipolar interactions has proven a computationally intensive problem due to the long range nature of the interactions, limiting the scope of applications. In particular, the lowest lying Bogoliubov excitations in three dimensional harmonic trap with cylindrical symmetry were so far computed in an indirect way, by Fourier analysis of time dependent perturbations, or by approximate variational methods. We have developed a very fast and accurate numerical algorithm based on the Hankel transform for calculating properties of dipolar Bose-Einstein condensates in cylindrically symmetric traps. As an application, we are able to compute many excitation modes by directly solving the Bogoliubov-De Gennes equations. We explore the behavior of the excited modes in different trap geometries. We use these results to calculate the quantum depletion of the condensate by a combination of a computation of the exact modes and the use of a local density approximation

Kinematic dynamo action in a sphere. I. Effects of differential rotation and meridional circulation on solutions with axial dipole symmetry

A sphere containing electrically conducting fluid can generate a magnetic field by dynamo action, provided the flow is sufficiently complicated and vigorous. The dynamo mechanism is thought to sustain magnetic fields in planets and stars. The kinematic dynamo problem tests steady flows for magnetic instability, but rather few dynamos have been found so far because of severe numerical difficulties. Dynamo action might, therefore, be quite unusual, at least for large-scale steady flows. We address this question by testing a two-parameter class of flows for dynamo generation of magnetic fields containing an axial dipole. The class of flows includes two completely different types of known dynamos, one dominated by differential rotation (D) and one with none. We find that 36% of the flows in seven distinct zones in parameter space act as dynamos, while the remaining 64% either fail to generate this type of magnetic field or generate fields that are too small in scale to be resolved by our numerical method. The two previously known dynamo types lie in the same zone, and it is therefore possible to change the flow continuously from one to the other without losing dynamo action. Differential rotation is found to promote large-scale axisymmetric toroidal magnetic fields, while meridional circulation (M) promotes large-scale axisymmetric poloidal fields concentrated at high latitudes near the axis. Magnetic fields resembling that of the Earth are generated by D > 0, corresponding to westward flow at the surface, and M of either sign but not zero. Very few oscillatory solutions are found

Clustered bottlenecks in mRNA translation and protein synthesis

We construct an algorithm that generates large, band-diagonal transition matrices for a totally asymmetric exclusion process (TASEP) with local hopping rate inhomogeneities. The matrices are diagonalized numerically to find steady-state currents of TASEPs with local variations in hopping rate. The results are then used to investigate clustering of slow codons along mRNA. Ribosome density profiles near neighboring clusters of slow codons interact, enhancing suppression of ribosome throughput when such bottlenecks are closely spaced. Increasing the slow codon cluster size, beyond $\approx 3-4$, does not significantly reduce ribosome current. Our results are verified by extensive Monte-Carlo simulations and provide a biologically-motivated explanation for the experimentally-observed clustering of low-usage codons

Spatial and spectral properties of the pulsed second-harmonic generation in a PP-KTP waveguide

Spatial and spectral properties of the pulsed second harmonic generation in a periodically-poled KTP waveguide exploiting simultaneously the first, second, and third harmonics of periodic nonlinear modulation are analyzed. Experimental results are interpreted using a model based on finite elements method. Correlations between spatial and spectral properties of the fundamental and second-harmonic fields are revealed. Individual nonlinear processes can be exploited combining spatial and spectral filtering. Also the influence of waveguide parameters to the second-harmonic spectra is addressed.Comment: 13 pages, 8 figure

Diffusion with critically correlated traps and the slow relaxation of the longest wavelength mode

We study diffusion on a substrate with permanent traps distributed with critical positional correlation, modeled by their placement on the perimeters of a critical percolation cluster. We perform a numerical analysis of the vibrational density of states and the largest eigenvalue of the equivalent scalar elasticity problem using the method of Arnoldi and Saad. We show that the critical trap correlation increases the exponent appearing in the stretched exponential behavior of the low frequency density of states by approximately a factor of two as compared to the case of no correlations. A finite size scaling hypothesis of the largest eigenvalue is proposed and its relation to the density of states is given. The numerical analysis of this scaling postulate leads to the estimation of the stretch exponent in good agreement with the density of states result.Comment: 15 pages, LaTeX (RevTeX

Towards higher order lattice Boltzmann schemes

In this contribution we extend the Taylor expansion method proposed previously by one of us and establish equivalent partial differential equations of DDH lattice Boltzmann scheme at an arbitrary order of accuracy. We derive formally the associated dynamical equations for classical thermal and linear fluid models in one to three space dimensions. We use this approach to adjust relaxation parameters in order to enforce fourth order accuracy for thermal model and diffusive relaxation modes of the Stokes problem. We apply the resulting scheme for numerical computation of associated eigenmodes and compare our results with analytical references