Monte Carlo renormalization group with evolution in the space of parameters

Using data from a single simulation we obtain Monte Carlo renormalization-group information in a finite region of parameter space by adapting the Ferrenberg-Swendsen histogram method. Several quantities are calculated in the two-dimensional N 2 Ashkin-Teller and Ising models to show the feasibility of the method. We show renormalization-group Hamiltonian flows and critical-point location by matching of correlations by doing just two simulations at a single temperature in lattices of different sizes to partially eliminate finite-size effects.

Two-dimensional induced gravity in reduced phase-space

We discuss the Dirac method analysis of two-dimensional induced gravity, coupled to bosonic matter fields, in reduced phase-space. After defining the extended Hamiltonian it is possible to fix the gauge completely. The Dirac brackets can all be obtained in closed form; nevertheless, the results are not particularly simple.

PHASE-TRANSITION IN A Q-DEFORMED LIPKIN MODEL

Assuming q-deformed commutation relations for the fermions, an extension of the standard Lipkin Hamiltonian is presented. The usual quasi-spin representation of the standard Lipkin model is also obtained in this q-deformed framework. A variationally obtained energy functional is used to analyse the phase transition associated with the spherical symmetry breaking. The only phase transitions in this q-deformed model are of second order. As an outcome of this analysis a critical parameter is obtained which is dependent on the deformation of the algebra and on the number of particles.

REDUCTION OF TODA LATTICE HIERARCHY TO GENERALIZED KDV HIERARCHIES AND THE 2-MATRIX MODEL

Toda lattice hierarchy and the associated matrix formulation of the 2M-boson KP hierarchies provide a framework for the Drinfeld-Sokolov reduction scheme realized through Hamiltonian action within the second KP Poisson bracket. By working with free currents, which Abelianize the second KP Hamiltonian structure, we are able to obtain a unified formalism for the reduced SL(M + 1, M - k) KdV hierarchies interpolating between the ordinary KP and KdV hierarchies. The corresponding Lax operators are given as superdeterminants of graded SL(M + 1, M - k) matrices in the diagonal gauge and we describe their bracket structure and field content. In particular, we provide explicit free field representations of the associated W(M, M - k) Poisson bracket algebras generalising the familiar nonlinear W-M+1 algebra. Discrete Backlund transformations for SL(M + 1, M - k) KdV are generated naturally from lattice translations in the underlying Toda-like hierarchy. As an application we demonstrate the equivalence of the two-matrix string model to the SL(M + 1, 1) KdV hierarchy.

Time-dependent non-Hermitian Hamiltonians with real energies

In this work we intend to study a class of time-dependent quantum systems with non-Hermitian Hamiltonians, particularly those whose Hermitian counterparts are important for the comprehension of posed problems in quantum optics and quantum chemistry. They consist of an oscillator with time-dependent mass and frequency under the action of a time-dependent imaginary potential. The wave functions are used to obtain the expectation value of the Hamiltonian. Although it is neither Hermitian nor PT symmetric, the Hamiltonian under study exhibits real values of energy.

Soliton clusters inducing insulator-to-metal transition in polyacetylene: a Su-Schrieffer-Heeger model study

The Su-Schrieffer-Heeger (SSH) Hamiltonian has been one of most used models to study the electronic structure of polyacetylene (PA) chains. It has been reported in the literature that in the SSH framework a disordered soliton distribution can not produce a metallic regime. However, in this work (using the same SSH model and parameters) we show that this is possible. The necessary conditions for true metals (non-vanishing density of states and extended wavefunctions around the Fermi level) are obtained for soliton concentration higher than 6% through soliton segregation (clustering). These results are consistent with recent experimental data supporting disorder as an essential mechanism behind the high conductivity of conducting polymers. (C) 2001 Elsevier B.V. B.V. All rights reserved.

LARGE-ORDER PERTURBATION EXPANSIONS FOR THE CHARGED HARMONIC-OSCILLATOR

The charged oscillator, defined by the Hamiltonian H = -d2/dr2+ r2 + lambda/r in the domain [0, infinity], is a particular case of the family of spiked oscillators, which does not behave as a supersingular Hamiltonian. This problem is analysed around the three regions lambda --> infinity, lambda --> 0 and lambda --> -infinity by using Rayleigh-Ritz large-order perturbative expansions. A path is found to connect the large lambda regions with the small lambda region by means of the renormalization of the series expansions in lambda. Finally, the Riccati-Pade method is used to construct an implicit expansion around lambda --> 0 which extends to very large values of Absolute value of lambda.

INSULATOR-TO-METAL TRANSITION IN POLYTHIOPHENE

In the present work, the electronic structure of polythiophene at several doping levels is investigated by the use of the Huckel Hamiltonian with sigma-bond compressibility. Excess charges are assumed to be stored in conformational defects of the bipolaron type. The Hamiltonian matrix elements representative of a bipolaron are obtained from a previous thiophene oligomer calculation, and then transferred to very long chains. Negative factor counting and inverse iteration techniques have been used to evaluate densities of states and wave functions, respectively. Several types of defect distributions were analyzed. Our results are consistent with the following: (i) the bipolaron lattice does not present a finite density of states at the Fermi energy at any doping level; (ii) bipolaron clusters show an insulator-to-metal transition at 8 mol% doping level; (iii) segregation disorder shows an insulator-to-metal transition for doping levels in the range 20-30 mor %.

Electronic correlations for a two-level dimer: dynamical susceptibilities

The exact solution for the full electronic Hamiltonian for a two-level dimer is obtained. The parameter constellation (20) is reparametrized via orthogonal Slater atomic orbitals, yielding a three-parameter model. With the dimer embedded in a thermal bath, several temperature-dependent dynamical susceptibilities are computed. (C) 2002 Elsevier B.V. B.V. All rights reserved.

PHENOMENOLOGICAL APPLICATION OF THE PROJECTION-OPERATOR METHOD AND ITS CONNECTION WITH CRITICAL-DYNAMICS

We consider the dynamics of a system of interacting spins described by the Ginzburg-Landau Hamiltonian. The method used is Zwanzig's version of the projection-operator method, in contrast to previous derivations in which we used Mori's version of this method. It is proved that both methods produce the same answer for the Green's function. We also make contact between the projection-operator method and critical dynamics.

Q-ANALOG REALIZATION OF NUCLEON PAIRING

A q-deformed analogue of zero-coupled nucleon pair states is constructed and the possibility of accounting for pairing correlations examined. For the single orbit case, the deformed pairs are found to be more strongly bound than the pairs with zero deformation, when a real-valued q parameter is used. It is found that an appropriately scaled deformation parameter reproduces the empirical few nucleon binding energies for nucleons in the 1f7/2 orbit and 1g9/2 orbit. The deformed pair Hamiltonian apparently accounts for many-body correlations, the strength of higher-order force terms being determined by the deformation parameter q. An extension to the multishell case, with deformed zero-coupled pairs distributed over several single particle orbits, has been realized. An analysis of calculated and experimental ground state energies and the energy spectra of three lowermost 0+ states, for even-A Ca isotopes, reveals that the deformation simulates the effective residual interaction to a large extent.

A critical investigation of the Tanford-Kirkwood scheme by means of Monte Carlo simulations

Monte Carlo simulations are used to assess the adequacy of the Tanford-Kirkwood prescription for electrostatic interactions in macromolecules. Within a continuum dielectric framework, the approach accurately describes salt screening of electrostatic interactions for moderately charged systems consistent with common proteins at physiological conditions. The limitations of the Debye-Huckel theory, which forms the statistical mechanical basis for the Tanford-Kirkwood result, become apparent for highly charged systems. It is shown, both by an analysis of the Debye-Huckel theory and by numerical simulations, that the difference in dielectric permittivity between macromolecule and surrounding solvent does not play a significant role for salt effects if the macromolecule is highly charged. By comparison to experimental data, the continuum dielectric model (combined with either an approximate effective Hamiltonian as in the Tanford-Kirkwood treatment or with exact Monte Carlo simulations) satisfactorily predicts the effects of charge mutation on metal ion binding constants, but only if the macromolecule and solvent are assigned the same or similar permittivities.

Remarks on infrared dynamics in QED(3)

In this work we study how the infrared sector of the interaction Hamiltonian can affect the construction of the S-matrix operator of QED in (2+1) dimensions.

INCREASE OF AVERAGE ENERGY BY THE PROCESS OF MEASUREMENT

A paradox is pointed out and resolved by proving that the average energy E = [H] of a macroscopic system in thermal equilibrium must increase by the measurement of an observable A which does not commute with the Hamiltonian H. The proof follows as a corollary of a more general result, which states that under certain conditions the expectation value [C] of an observable C should increase by the measurement of another observable A, if [A, C] not-equal 0.

VARIATIONAL SPIKED OSCILLATOR

A variational analysis of the spiked harmonic oscillator Hamiltonian -d2/dr2 + r2 + lambda/r5/2, lambda > 0, is reported. A trial function automatically satisfying both the Dirichlet boundary condition at the origin and the boundary condition at infinity is introduced. The results are excellent for a very large range of values of the coupling parameter lambda, suggesting that the present variational function is appropriate for the treatment of the spiked oscillator in all its regimes (strong, moderate, and weak interactions).