Wave functions for two- and three-electron atoms and isoelectronic ions

We have developed simple wave functions for two- and three-electron atoms and ions, which have the correct structure when one of the electrons is far away, or when two of the particles are close to each other. These essentially parameter-free wave functions allow us to deduce fairly accurate values for the energies, , for multipolar polarizabilities of two-electron atoms and ions, and for the coefficients of the asymptotic density. Received: 5 August 1998 / Received in final form: 27 November 1998     

Phases of wave functions and level repulsion

Avoided level crossings are associated with exceptional points which are the singularities of the spectrum and eigenfunctions, when considered as functions of a complex coupling parameter. It is shown that the wave function of one state changes sign but not the other, if the exceptional point is encircled in the complex plane. An experimental setup is suggested where this peculiar phase change could be observed. Received: 7 January 1999 / Received in final form: 15 March 1999     

Thermoelastic behaviour of polyvinylacetate monolayers at the air-water interface: Evidences for liquid-solid phase transition

The thermoelastic behaviour of polyvinylacetate monolayers spread on an aqueous subphase has been studied using rheological data previously published (Monroy et al., Phys. Rev. E 58, 7629 (1998)). The results show fluid-like viscoelastic behaviour well above a transition temperature , while at lower temperatures a soft solid-like behaviour emerges. The correlation between thermodynamic and elastic properties below can be described in terms of scaling laws. Received 12 January 1999 and Received in final form 11 June 1999     

Viscosity critical behaviour at the gel point in a 3d lattice model

Within a recently introduced model based on the bond-fluctuation dynamics, we study the viscoelastic behaviour of a polymer solution at the gelation threshold. We here present the results of the numerical simulation of the model on a cubic lattice: the percolation transition, the diffusion properties and the time autocorrelation functions have been studied. From both the diffusion coefficients and the relaxation times critical behaviour a critical exponent k for the viscosity coefficient has been extracted: the two results are comparable within the errors giving , in close agreement with the Rouse model prediction and with some experimental results. In the critical region below the transition threshold the time autocorrelation functions show a long-time tail which is well fitted by a stretched exponential decay. Received 20 December 1999 and Received in final form 18 February 2000     

Effect of electron-phonon interaction on surface states in a ternary mixed crystal

A variational theory is proposed to study the surface states of electrons in a semi-infinite ternary mixed crystal, by taking the effect of electron-surface optical (SO) phonon interaction into account. The energy and the wave function of the electronic surface-states are calculated. The numerical results of the energies of the surface states of the polarons and the self-trapping energies are obtained as functions of the composition x and surface potential V₀ for several ternary mixed crystal materials. The results show that the electron-phonon interaction lowers the surface-state levels with the energies from several to scores of meV. It is also found that the self-trapping energy of the surface polaron has a minimum at some middle value of the composition x. It is indicated that the electron-phonon coupling effect can not be neglected. Received 4 January 1999 and Received in final form 7 January 2000     

Pump and probe nonlinear processes: new modified sum rules from a simple oscillator model

The nonlinear oscillator model is useful to basically understand the most important properties of nonlinear optical processes. It has been shown to give the correct asymptotic behaviour and to provide the general features of harmonic generation to all orders, in particular dispersion relations and sum rules. We investigate the properties of pump and probe processes using this model, and study those cases where general theorems based on the holomorphic character of the Kubo response functions cannot be applied. We show that it is possible to derive new sum rules and new Kramers-Kr?nig relations for the two lowest moments of the real and of the imaginary part of the third order susceptibility and that new specific contributions become relevant as the intensity of the probe increases. Since the analytic properties of the susceptibility functions depend only upon the time causality of the system we are confident that these results are not model dependent and therefore have a general validity, provided one substitutes for the equilibrium values of the potential derivatives the density matrix expectation values of the corresponding operators. Received 25 January 1999 and Received in final form 26 April 1999     

Renormalization group analysis of weakly charged polyelectrolytes

We present a field-theoretic Renormalization Group (RG) analysis of the statistical mechanics of long flexible, screened polyelectrolyte chains (Debye-Hückel chains) in polar solvents where the screening length is of the order of the chain size. A systematic analysis of the resulting field theory shows that the system is one with two length-scales requiring the calculation of scaling functions as well as exponents to fully describe its physical behaviour. This means that care must be taken to understand the interplay of the length-scales. Using the RG we identify the relevant scaling variables and explicitly calculate the scaling behaviour of the end-to-end distance for single chains. In addition we consider the many-chain system and calculate the scaling behaviour of the osmotic pressure of a dilute solution of chains. Received 16 December 1999 and Received in final form 13 December 2000     

Spectral densities of response functions for the O(3) symmetric Anderson and two channel Kondo models

The O(3) symmetric Anderson model is an example of a system which has a stable low energy marginal Fermi liquid fixed point for a certain choice of parameters. It is also exactly equivalent, in the large U limit, to a localized model which describes the spin degrees of freedom of the linear dispersion two channel Kondo model. We first use an argument based on conformal field theory to establish this precise equivalence with the two channel model. We then use the numerical renormalization group (NRG) approach to calculate both one-electron and two-electron response functions for a range of values of the interaction strength U. We compare the behaviours about the marginal Fermi liquid and Fermi liquid fixed points and interpret the results in terms of a renormalized Majorana fermion picture of the elementary excitations. In the marginal Fermi liquid case the spectral densities of all the Majorana fermion modes display a dependence on the lowest energy scale, and in addition the zero Majorana mode has a delta function contribution. The weight of this delta function is studied as a function of the interaction U and is found to decrease exponentially with U for large U. Using the equivalence with the two channel Kondo model in the large U limit, we deduce the dynamical spin susceptibility of the two channel Kondo model over the full frequency range. We use renormalized perturbation theory to interpret the results and to calculate the coefficient of the ln divergence found in the low frequency behaviour of the T=0 dynamic susceptibility. Received 29 January 1999     

Ground state and vortex states of bosons in an anisotropic trap: A variational approach

We propose a simple variational form of the wave function to describe the ground state and vortex states of a weakly interacting Bose gas in an anisotropic trap. The proposed wave function is valid for a wide range of the particle numbers in the trap. It also works well in the case of attractive interaction between the atoms. Further, it provides an easy and fast method to calculate the physical quantities of interest. The results compare very well with those obtained by purely numerical techniques. Using our wave function we have been able to verify, for the first time, the predicted behaviour of the aspect ratio. Received 7 December 1998 and Received in final form 4 February 1999     

Boundary critical behaviour of two-dimensional random Potts models

Using extensive Monte Carlo simulations, transfer matrix techniques and conformal invariance, ferromagnetic random q-state Potts models for are studied in the vicinity of the critical temperature. In particular the surface and bulk magnetization exponents and are found monotonically increasing with q. At the critical temperature, different moments (n) of the magnetization profiles are calculated which are all found to accurately follow predictions of conformal invariance. The critical correlation functions show multifractal behaviour, the decay exponents of the different moments both in the volume and at the surface, are n-dependent. Received 4 June 1999     

Exact and approximate results of non-extensive quantum statistics

We develop an analytical technique to derive explicit forms of thermodynamical quantities within the asymptotic approach to non-extensive quantum distribution functions. Using it, we find an expression for the number of particles in a boson system which we compare with other approximate scheme (i.e. factorization approach), and with the recently obtained exact result. To do this, we investigate the predictions on Bose-Einstein condensation and the blackbody radiation. We find that both approximation techniques give results similar to (up to ) the exact ones, making them a useful tool for computations. Because of the simplicity of the factorization approach formulae, it appears that this is the easiest way to handle with physical systems which might exhibit slight deviations from extensivity. Received 19 August 1999 and Received in final form 1 November 1999     

Hankel transform of focus wave modes

The Hankel transform generally used to analyse the transverse behaviour of Gaussian beams also supplies new classes of scalar focus wave modes. Received: 4 January 1999 / Revised version: 4 March 1999 / Published online: 2 June 1999     

Dynamical effects of a one-dimensional multibarrier potential of finite range

We discuss the properties of a large number N of one-dimensional (bounded) locally periodic potential barriers in a finite interval. We show that the transmission coefficient, the scattering cross section σ, and the resonances of σ depend sensitively upon the ratio of the total spacing to the total barrier width. We also show that a time dependent wave packet passing through the system of potential barriers rapidly spreads and deforms, a criterion suggested by Zaslavsky for chaotic behaviour. Computing the spectrum by imposing (large) periodic boundary conditions we find a Wigner type distribution. We investigate also the S-matrix poles; many resonances occur for certain values of the relative spacing between the barriers in the potential. Received 1st August 2001 and Received in final form 18 November 2001     

Quantum motion of three trapped ions in one dimension

The hyperspherical-coordinate approach is employed to a one-dimensional model of three ions in a Paul trap. It is shown that the eigen wave functions have well-defined nodal structure indicating a near separability in the hyperspherical coordinates, then two approximate good quantum numbers are introduced to classify the eigenstates. Three important classical periodic motions, including the breathing motion and the (distorted-)symmetric or anti-symmetric stretching motion, are found to dominate the wave function distribution. Received: 10 February 1999 / Received in final form: 25 March 1999     

Functional renormalization description of the roughening transition

We reconsider the problem of the static thermal roughening of an elastic manifold at the critical dimension d=2 in a periodic potential, using a perturbative Functional Renormalization Group approach. Our aim is to describe the effective potential seen by the manifold below the roughening temperature on large length scales. We obtain analytically a flow equation for the potential and surface tension of the manifold, valid for low temperatures. On a length scale L, the renormalized potential is made up of a succession of quasi parabolic wells, matching onto one another in a singular region of width for large L. For strong periodic potential, the perturbation theory breaks down, and we argue, based on a variational calculation, that the transition becomes first order. We also obtain numerically the step energy as a function of temperature, and relate our results to the existing experimental data on ⁴He. Finally, we examine the case of a non local elasticity which is realized physically for the contact line. Received 16 April 1999 and Received in final form 11 October 1999     

Low frequency dielectric spectroscopy of the Peierls-Mott insulating state in the deuterated copper-DCNQI systems

We report a detailed characterization of an unique 3-fold commensurate insulating state in single crystals of the organic – inorganic d hybrid Cu(DMe-DCNQI)₂ systems with deuterated and partially deuterated DCNQI ring, by means of low-frequency dielectric spectroscopy. A broad relaxation mode of strength centred at kHz is observed in the hysteresis temperature region in which the insulating phase coexists with metallic islands. At lower temperatures, outside the nucleation range, the relaxation narrows, approaching a Debye-like form for an overdamped response of a system with a single degree of freedom. Both, the relaxation strength and the mean relaxation time () are much larger than that expected for single-particle excitations. These features suggest the origin of the dielectric relaxation as an intrinsic property of the N = 3 charge density wave state. Received 1 December 1999 and Received in final form 5 April 2000     

Bistable behaviour in squeezed vacua: I. Stationary analysis

A time-independent theoretical and numerical analysis of an optical bistable model of two-level atoms in a ring cavity, driven by a coherent field and in contact with a squeezed vacuum field is presented in the two cases of absorptive and dispersive optical bistability (OB). In the former case, a suitable choice of the phase of the squeezed vacuum field reduces the threshold for OB to occur compared with the normal vacuum case. In the latter case, regions of OB are identified as one or two disconnected simple closed curves depending on the cooperation parameter [0pt] : is the maximum possible value of the critical value of C at fixed values of the squeezed vacuum field parameters. Phase switching effects between different (output) states of the system is investigated in detail. In the absorptive case, one- or two-way optical switching is possible depending on [0pt] . We also present results which demonstrate more complicated switching behaviour in the dispersive case. Received 12 March 1999 and Received in final form 20 August 1999     

Bound and scattering wave functions for a velocity-dependent Kisslinger potential for l > 0

Using formal scattering theory, the scattering wave functions are extrapolated to negative energies corresponding to bound-state poles. It is shown that the ratio of the normalized scattering and the corresponding bound-state wave functions, at a bound-state pole, is uniquely determined by the bound-state binding energy. This simple relation is proved analytically for an arbitrary angular momentum quantum number l > 0, in the presence of a velocity-dependent Kisslinger potential. The extrapolation relation is tested analytically by solving the Schr?dinger equation in the p-wave case exactly for the scattering and the corresponding bound-state wave functions when the Kisslinger potential has the form of a square well. A numerical resolution of the Schr?dinger equation in the p-wave case and of a square-well Kisslinger potential is carried out to investigate the range of validity of the extrapolated connection. It is found that the derived relation is satisfied best at low energies and short distances. Received: 17 October 2001 / Accepted: 4 January 2002     

Spin density distribution of the conduction electrons in diperylene hexafluorophosphate analysed by high-resolution NMR

High-resolution ¹³C nuclear magnetic resonance with ¹H cross polarization and ¹H decoupling under magic angle spinning is measured for the quasi-one dimensional organic conductor diperylene hexafluorophosphate (including tetrahydrofurane solvent molecules) at temperatures between 160 K and 270 K. Ab initio molecular orbital calculations are used for chemical shift analysis and for assignment of Knight shifted lines and individual carbon positions. The coexistence of neutral perylene molecules and perylene radicals in the same radical cation salt is revealed. From Knight and chemical shifts we were able to distinguish two inequivalent perylene radicals within the conducting stack. The spin density distribution of the molecular electronic wave function is determined quantitatively for these radicals. Received 29 June 1999 and Received in final form 4 November 1999