Fragmentation Phase Transition in Atomic Clusters II - Coulomb Explosion of Metal Clusters -

We discuss the role and the treatment of polarization effects in many-body systems of charged conducting clusters and apply this to the statistical fragmentation of Na-clusters. We see a first order microcanonical phase transition in the fragmentation of $Na^{Z+}_{70}$ for Z=0 to 8. We can distinguish two fragmentation phases, namely evaporation of large particles from a large residue and a complete decay into small fragments only. Charging the cluster shifts the transition to lower excitation energies and forces the transition to disappear for charges higher than Z=8. At very high charges the fragmentation phase transition no longer occurs because the cluster Coulomb-explodes into small fragments even at excitation energy $\epsilon^* = 0$.Comment: 19 text pages +18 *.eps figures, my e-mail adress: [email protected] submitted to Z. Phys.

On the inequivalence of statistical ensembles

We investigate the relation between various statistical ensembles of finite systems. If ensembles differ at the level of fluctuations of the order parameter, we show that the equations of states can present major differences. A sufficient condition for this inequivalence to survive at the thermodynamical limit is worked out. If energy consists in a kinetic and a potential part, the microcanonical ensemble does not converge towards the canonical ensemble when the partial heat capacities per particle fulfill the relation $c_{k}^{-1}+c_{p}^{-1}<0$.Comment: 4 pages, 4 figure

Critical dynamics of an isothermal compressible non-ideal fluid

A pure fluid at its critical point shows a dramatic slow-down in its dynamics, due to a divergence of the order-parameter susceptibility and the coefficient of heat transport. Under isothermal conditions, however, sound waves provide the only possible relaxation mechanism for order-parameter fluctuations. Here we study the critical dynamics of an isothermal, compressible non-ideal fluid via scaling arguments and computer simulations of the corresponding fluctuating hydrodynamics equations. We show that, below a critical dimension of 4, the order-parameter dynamics of an isothermal fluid effectively reduces to "model A," characterized by overdamped sound waves and a divergent bulk viscosity. In contrast, the shear viscosity remains finite above two dimensions. Possible applications of the model are discussed.Comment: 19 pages, 7 figures; v3: minor corrections and clarifications; as published in Phys. Rev.

Vortices in Bose-Einstein-Condensed Atomic Clouds

The properties of vortex states in a Bose-Einstein condensed cloud of atoms are considered at zero temperature. Using both analytical and numerical methods we solve the time-dependent Gross-Pitaevskii equation for the case when a cloud of atoms containing a vortex is released from a trap. In two dimensions we find the simple result that the time dependence of the cloud radius is given by $(1+\omega^2t^2)^{1/2}$, where $\omega$ is the trap frequency. We calculate and compare the expansion of the vortex core and the cloud radius for different numbers of particles and interaction strengths, in both two and three dimensions, and discuss the circumstances under which vortex states may be observed experimentally.Comment: Revtex, 11 pages including 5 eps figures, submitted to Phys. Rev. A; new reference added, remark added in Sec. IIIB, axis label added in Fig.

On the criterion for Bose-Einstein condensation for particles in traps

We consider the criterion for Bose condensation for particles in a harmonic trap. For a fixed angular momentum, the lowest energy state for a cloud of bosons with attractive interactions is the ground state of the cloud with all the angular momentum in the center-of-mass motion, and the one-particle reduced density matrix generally does not have a single large eigenvalue, but a number of them, suggesting that the state is an example of a fragmented condensate (Wilkin, Gunn, and Smith, Phys. Rev. Lett. 80, 2265 (1998)). We show that a convenient way to describe correlations in the system is by defining an internal one-particle reduced density matrix, in which the center-of-mass motion is eliminated, and that this has a single eigenvalue equal to the number of particles for the problem considered here. Our considerations indicate that care is necessary in formulating a criterion for Bose-Einstein condensation.Comment: 2 pages, RevTex, Submitted to Phys. Rev.

Time-dependent quantum transport: A practical scheme using density functional theory

We present a computationally tractable scheme of time-dependent transport phenomena within open-boundary time-dependent density-functional-theory. Within this approach all the response properties of a system are determined from the time-propagation of the set of ``occupied'' Kohn-Sham orbitals under the influence of the external bias. This central idea is combined with an open-boundary description of the geometry of the system that is divided into three regions: left/right leads and the device region (``real simulation region''). We have derived a general scheme to extract the set of initial states in the device region that will be propagated in time with proper transparent boundary-condition at the device/lead interface. This is possible due to a new modified Crank-Nicholson algorithm that allows an efficient time-propagation of open quantum systems. We illustrate the method in one-dimensional model systems as a first step towards a full first-principles implementation. In particular we show how a stationary current develops in the system independent of the transient-current history upon application of the bias. The present work is ideally suited to study ac transport and photon-induced charge-injection. Although the implementation has been done assuming clamped ions, we discuss how it can be extended to include dissipation due to electron-phonon coupling through the combined simulation of the electron-ion dynamics as well as electron-electron correlations.Comment: 14 pages, 9 figures, one of which consist of two separate file

Binary Bose-Einstein Condensate Mixtures in Weakly and Strongly Segregated Phases

We perform a mean-field study of the binary Bose-Einstein condensate mixtures as a function of the mutual repulsive interaction strength. In the phase segregated regime, we find that there are two distinct phases: the weakly segregated phase characterized by a `penetration depth' and the strongly segregated phase characterized by a healing length. In the weakly segregated phase the symmetry of the shape of each condensate will not take that of the trap because of the finite surface tension, but its total density profile still does. In the strongly segregated phase even the total density profile takes a different symmetry from that of the trap because of the mutual exclusion of the condensates. The lower critical condensate-atom number to observe the complete phase segregation is discussed. A comparison to recent experimental data suggests that the weakly segregated phase has been observed.Comment: minor change

Non-perturbative Debye mass in finite T QCD

Employing a non-perturbative gauge invariant definition of the Debye screening mass m_D in the effective field theory approach to finite T QCD, we use 3d lattice simulations to determine the leading O(g^2) and to estimate the next-to-leading O(g^3) corrections to m_D in the high temperature region. The O(g^2) correction is large and modifies qualitatively the standard power-counting hierarchy picture of correlation lengths in high temperature QCD.Comment: 4 pages, Late

Chiral bosons and improper constraints

We argue that a consistent quantization of the Floreanini-Jackiw model, as a constrained system, should start by recognizing the improper nature of the constraints. Then each boundary conditon defines a problem which must be treated sparately. The model is settled on a compact domain which allows for a discrete formulation of the dynamics; thus, avoiding the mixing of local with collective coordinates. For periodic boundary conditions the model turns out to be a gauge theory whose gauge invariant sector contains only chiral excitations. For antiperiodoc boundary conditions, the mode is a second-class theory where the excitations are also chiral. In both cases, the equal-time algebra of the quantum energy-momentum densities is a Virasoro algebra. The Poincar\'e symmetry holds for the finite as well as for the infinite domain.Comment: 13 pages, Revtex file, IF.UFRGS Preprin

Using the local density approximation and the LYP, BLYP, and B3LYP functionals within Reference--State One--Particle Density--Matrix Theory

For closed-shell systems, the local density approximation (LDA) and the LYP, BLYP, and B3LYP functionals are shown to be compatible with reference-state one-particle density-matrix theory, where this recently introduced formalism is based on Brueckner-orbital theory and an energy functional that includes exact exchange and a non-universal correlation-energy functional. The method is demonstrated to reduce to a density functional theory when the exchange-correlation energy-functional has a simplified form, i.e., its integrand contains only the coordinates of two electron, say r1 and r2, and it has a Dirac delta function -- delta(r1 - r2) -- as a factor. Since Brueckner and Hartree--Fock orbitals are often very similar, any local exchange functional that works well with Hartree--Fock theory is a reasonable approximation with reference-state one-particle density-matrix theory. The LDA approximation is also a reasonable approximation. However, the Colle--Salvetti correlation-energy functional, and the LYP variant, are not ideal for the method, since these are universal functionals. Nevertheless, they appear to provide reasonable approximations. The B3LYP functional is derived using a linear combination of two functionals: One is the BLYP functional; the other uses exact exchange and a correlation-energy functional from the LDA.Comment: 26 Pages, 0 figures, RevTeX 4, Submitted to Mol. Phy