On weighted structured total least squares

In this contribution we extend the result of (Markovsky et. al, SIAM J. of Matrix Anal. and Appl., 2005) to the case of weighted cost function. It is shown that the computational complexity of the proposed algorithm is preserved linear in the sample size when the weight matrix is banded with bandwidth that is independent of the sample size

Variational determination of the second-order density matrix for the isoelectronic series of beryllium, neon and silicon

The isoelectronic series of Be, Ne and Si are investigated using a variational determination of the second-order density matrix. A semidefinite program was developed that exploits all rotational and spin symmetries in the atomic system. We find that the method is capable of describing the strong static electron correlations due to the incipient degeneracy in the hydrogenic spectrum for increasing central charge. Apart from the ground-state energy various other properties are extracted from the variationally determined second-order density matrix. The ionization energy is constructed using the extended Koopmans' theorem. The natural occupations are also studied, as well as the correlated Hartree-Fock-like single particle energies. The exploitation of symmetry allows to study the basis set dependence and results are presented for correlation-consistent polarized valence double, triple and quadruple zeta basis sets.Comment: 19 pages, 7 figures, 3 tables v2: corrected typo in Eq. (52

Non-universal dynamics of dimer growing interfaces

A finite temperature version of body-centered solid-on-solid growth models involving attachment and detachment of dimers is discussed in 1+1 dimensions. The dynamic exponent of the growing interface is studied numerically via the spectrum gap of the underlying evolution operator. The finite size scaling of the latter is found to be affected by a standard surface tension term on which the growth rates depend. This non-universal aspect is also corroborated by the growth behavior observed in large scale simulations. By contrast, the roughening exponent remains robust over wide temperature ranges.Comment: 11 pages, 7 figures. v2 with some slight correction

Solving the Richardson equations for Fermions

Forty years ago Richardson showed that the eigenstates of the pairing Hamiltonian with constant interaction strength can be calculated by solving a set of non-linear coupled equations. However, in the case of Fermions these equations lead to singularities which made them very hard to solve. This letter explains how these singularities can be avoided through a change of variables making the Fermionic pairing problem numerically solvable for arbitrary single particle energies and degeneracies.Comment: 5 pages, 4 figures, submitted to Phys.Rev.

Network connectivity during mergers and growth: optimizing the addition of a module

The principal eigenvalue $\lambda$ of a network's adjacency matrix often determines dynamics on the network (e.g., in synchronization and spreading processes) and some of its structural properties (e.g., robustness against failure or attack) and is therefore a good indicator for how ``strongly'' a network is connected. We study how $\lambda$ is modified by the addition of a module, or community, which has broad applications, ranging from those involving a single modification (e.g., introduction of a drug into a biological process) to those involving repeated additions (e.g., power-grid and transit development). We describe how to optimally connect the module to the network to either maximize or minimize the shift in $\lambda$, noting several applications of directing dynamics on networks.Comment: 7 pages, 5 figure

Quantum state transfer in spin chains with q-deformed interaction terms

We study the time evolution of a single spin excitation state in certain linear spin chains, as a model for quantum communication. Some years ago it was discovered that when the spin chain data (the nearest neighbour interaction strengths and the magnetic field strengths) are related to the Jacobi matrix entries of Krawtchouk polynomials or dual Hahn polynomials, so-called perfect state transfer takes place. The extension of these ideas to other types of discrete orthogonal polynomials did not lead to new models with perfect state transfer, but did allow more insight in the general computation of the correlation function. In the present paper, we extend the study to discrete orthogonal polynomials of q-hypergeometric type. A remarkable result is a new analytic model where perfect state transfer is achieved: this is when the spin chain data are related to the Jacobi matrix of q-Krawtchouk polynomials. The other cases studied here (affine q-Krawtchouk polynomials, quantum q-Krawtchouk polynomials, dual q-Krawtchouk polynomials, q-Hahn polynomials, dual q-Hahn polynomials and q-Racah polynomials) do not give rise to models with perfect state transfer. However, the computation of the correlation function itself is quite interesting, leading to advanced q-series manipulations

Unified description of correlations in double quantum dots

The two-level model for a double quantum dot coupled to two leads, which is ubiquitously used to describe charge oscillations, transmission-phase lapses and correlation-induced resonances, is considered in its general form. The model features arbitrary tunnelling matrix elements among the two levels and the leads and between the levels themselves (including the effect of Aharonov-Bohm fluxes), as well as inter-level repulsive interactions. We show that this model is exactly mapped onto a generalized Anderson model of a single impurity, where the electrons acquire a pseudo-spin degree of freedom, which is conserved by the tunnelling but not within the dot. Focusing on the local-moment regime where the dot is singly occupied, we show that the effective low-energy Hamiltonian is that of the anisotropic Kondo model in the presence of a tilted magnetic field. For moderate values of the (renormalized) field, the Bethe ansatz solution of the isotropic Kondo model allows us to derive accurate expressions for the dot occupation numbers, and henceforth its zero-temperature transmission. Our results are in excellent agreement with those obtained from the Bethe ansatz for the isotropic Anderson model, and with the functional and numerical renormalization-group calculations of Meden and Marquardt [Phys. Rev. Lett. 96, 146801 (2006)], which are valid for the general anisotropic case. In addition we present highly accurate estimates for the validity of the Schrieffer-Wolff transformation (which maps the Anderson Hamiltonian onto the low-energy Kondo model) at both the high- and low-magnetic field limits. Perhaps most importantly, we provide a single coherent picture for the host of phenomena to which this model has been applied.Comment: 23 pages, 7 figure

Quantum communication and state transfer in spin chains

We investigate the time evolution of a single spin excitation state in certain linear spin chains, as a model for quantum communication. We consider first the simplest possible spin chain, where the spin chain data (the nearest neighbour interaction strengths and the magnetic field strengths) are constant throughout the chain. The time evolution of a single spin state is determined, and this time evolution is illustrated by means of an animation. Some years ago it was discovered that when the spin chain data are of a special form so-called perfect state transfer takes place. These special spin chain data can be linked to the Jacobi matrix entries of Krawtchouk polynomials or dual Hahn polynomials. We discuss here the case related to Krawtchouk polynomials, and illustrate the possibility of perfect state transfer by an animation showing the time evolution of the spin chain from an initial single spin state. Very recently, these ideas were extended to discrete orthogonal polynomials of q-hypergeometric type. Here, a remarkable result is a new analytic model where perfect state transfer is achieved: this is when the spin chain data are related to the Jacobi matrix of q-Krawtchouk polynomials. This case is discussed here, and again illustrated by means of an animation

Formation of energy gap in higher dimensional spin-orbital liquids

A Schwinger boson mean field theory is developed for spin liquids in a symmetric spin-orbital model in higher dimensions. Spin, orbital and coupled spin-orbital operators are treated equally. We evaluate the dynamic correlation functions and collective excitations spectra. As the collective excitations have a finite energy gap, we conclude that the ground state is a spin-orbital liquid with a two-fold degeneracy, which breaks the discrete spin-orbital symmetry. Possible relevence of this spin liquid state to several realistic systems, such as CaV$_4$V$_9$ and Na$_2$Sb$_2$Ti$_2$O, are discussed.Comment: 4 pages with 1 figur

Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions

A class of polynomial scaling methods that approximate Doubly Occupied Configuration Interaction (DOCI) wave functions and improve the description of dynamic correlation is introduced. The accuracy of the resulting wave functions is analysed by comparing energies and studying the overlap between the newly developed methods and full configuration interaction wave functions, showing that a low energy does not necessarily entail a good approximation of the exact wave function. Due to the dependence of DOCI wave functions on the single-particle basis chosen, several orbital optimisation algorithms are introduced. An energy-based algorithm using the simulated annealing method is used as a benchmark. As a computationally more affordable alternative, a seniority number minimising algorithm is developed and compared to the energy based one revealing that the seniority minimising orbital set performs well. Given a well-chosen orbital basis, it is shown that the newly developed DOCI based wave functions are especially suitable for the computationally efficient description of static correlation and to lesser extent dynamic correlation.Fil: Van Raemdonck, Mario. Ghent University; BélgicaFil: Alcoba, Diego Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; ArgentinaFil: Poelmans, Ward. Ghent University; BélgicaFil: De Baerdemacker, Stijn. Ghent University; BélgicaFil: Torre, Alicia. Universidad del País Vasco; EspañaFil: Lain, Luis. Universidad del País Vasco; EspañaFil: Massaccesi, Gustavo Ernesto. Universidad de Barcelona. Facultad de Física. Departamento de Física Fomental; EspañaFil: Van Neck, D.. Ghent University; BélgicaFil: Bultinck, P.. Ghent University; Bélgic