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J. Schnack

Publications and source records attributed to J. Schnack.

At least 109 records · Page 6Linked to original sources
arXiv2000

Unexpected properties of the first excited state of non-bipartite Heisenberg spin rings

Systematic properties of the first excited state are presented for various ring sizes and spin quantum numbers which are only partly covered by the theorem of Lieb, Schultz and Mattis. For odd ring sizes the first excited energy eigenvalue shows unexpected degeneracy and related shift quantum numbers. As a byproduct the ground state energy as well as the energy of the first excited state of infinite chains are calculated by extrapolating the properties of only a few, finite, antiferromagnetically coupled Heisenberg rings using the powerful Levin sequence acceleration method.

cond-mat.mtrl-sci↗
arXiv2000

Ground state properties of antiferromagnetic Heisenberg spin rings

Exact ground state properties of antiferromagnetic Heisenberg spin rings with isotropic next neighbour interaction are presented for various numbers of spin sites and spin quantum numbers. Earlier work by Peierls, Marshall, Lieb, Schultz and Mattis focused on bipartite lattices and is not applicable to rings with an odd number of spins. With the help of exact diagonalization methods we find a more general systematic behaviour which for instance relates the number of spin sites and the individual spin quantum numbers to the degeneracy of the ground state. These numerical findings all comply with rigorous proofs in the cases where a general analysis could be carried out. Therefore it can be plausibly conjectured that the ascertained properties hold for ground states of arbitrary antiferromagnetic Heisenberg spin rings.

cond-mat.stat-mech↗
arXiv2000

Molecular Dynamics for Fermions

The time-dependent variational principle for many-body trial states is used to discuss the relation between the approaches of different molecular dynamics models to describe indistinguishable fermions. Early attempts to include effects of the Pauli principle by means of nonlocal potentials as well as more recent models which work with antisymmetrized many-body states are reviewed under these premises. Keywords: Many-body theory; Fermion system; Molecular dynamics; Wave-packet dynamics; Time-dependent variational principle; Statistical properties; Canonical ensemble; Ergodicity; Time averaging

cond-mat.stat-mech↗
arXiv1999

Transition from quantum to classical Heisenberg trimers: Thermodynamics and time correlation functions

We focus on the transition from quantum to classical behavior in thermodynamic functions and time correlation functions of a system consisting of three identical quantum spins s that interact via isotropic Heisenberg exchange. The partition function and the zero-field magnetic susceptibility are readily shown to adopt their classical forms with increasing s. The behavior of the spin autocorrelation function (ACF) is more subtle. Unlike the classical Heisenberg trimer where the ACF approaches a unique non-zero limit for long times, for the quantum trimer the ACF is periodic in time. We present exact values of the time average over one period of the quantum trimer for s less or equal 7 and for infinite temperature. These averages differ from the long-time limit, (9/40)\ln3+(7/30), of the corresponding classical trimer by terms of order 1/(s*s). However, upon applying the Levin u-sequence acceleration method to our quantum results we can reproduce the classical value to six significant figures.

cond-mat.stat-mech↗
arXiv1999

On cyclically shifted strings

If a string is cyclically shifted it will re-appear after a certain number of shifts, which will be called its order. We solve the problem of how many strings exist with a given order. This problem arises in the context of quantum mechanics of spin systems.

math-ph↗
arXiv1999

Structure and relevant dimension of the Heisenberg model and applications to spin rings

For the diagonalization of the Hamilton matrix in the Heisenberg model relevant dimensions are determined depending on the applicable symmetries. Results are presented, both, by general formulae in closed form and by the respective numbers for a variety of special systems. In the case of cyclic symmetry, diagonalizations for Heisenberg spin rings are performed with the use of so-called magnon states. Analytically solvable cases of small spin rings are singled out and evaluated.

cond-mat.mtrl-sci↗
arXiv1999

Spin dynamics of quantum and classical Heisenberg dimers

Analytical solutions for the time-dependent autocorrelation function of the classical and quantum mechanical spin dimer with arbitrary spin are presented and compared. For large spin quantum numbers or high temperature the classical and the quantum dimer become more and more similar, yet with the major difference that the quantum autocorrelation function is periodic in time whereas the classical is not.

cond-mat.stat-mech↗
arXiv1999

Realistic Interactions and Configuration Mixing in Fermionic Molecular Dynamics

In Fermionic Molecular Dynamics the occurrence of multifragmentation depends strongly on the intrinsic structure of the many-body state. Slater determinants with narrow single-particle states and a cluster substructure show multifragmentation in heavy-ion collisions while those with broad wave functions, which resemble more a shell-model picture, deexcite by particle emission. Which of the two type of states occurs as the ground state minimum or as a local minimum in the energy depends on the effective interaction. Both may equally well reproduce binding energy and radii of nuclei. This ambiguity led us to reinvestigate the derivation of the effective interaction from realistic nucleon-nucleon potentials by means of a unitary correlation operator which is much more suited for dynamical calculations than the G-matrix or the Jastrow method. First results of mixing many Slater determinants are also presented.

nucl-th↗
arXiv1998

Thermodynamics of the harmonic oscillator using coherent states

The ongoing discussion whether thermodynamic properties can be extracted from a (possibly approximate) quantum mechanical time evolution using time averages is fed with an instructive example. It is shown for the harmonic oscillator how the Hilbert space or an appropriately defined phase space must be populated in terms of coherent states in order to obtain the quantum result respectively the classical one.

cond-mat.stat-mech↗
arXiv1998

Thermodynamic fermion-boson symmetry in harmonic oscillator potentials

A remarkable thermodynamic fermion-boson symmetry is found for the canonical ensemble of ideal quantum gases in harmonic oscillator potentials of odd dimensions. The bosonic partition function is related to the fermionic one extended to negative temperatures, and vice versa.

cond-mat.stat-mech↗
arXiv1998

Quasi-Particle Picture for Monatomic Gases

A quasi-particle theory for monatomic gases in equilibrium is formulated and evaluated to yield the exact virial contributions to the thermodynamic state functions in lowest order of the density. Van der Waals blocking has necessarily to be accounted for in occupation number statistics. The quasi-particle distribution function differs from the Wigner function by a bilinear functional thereof. The progress made so far is promising with respect to a corresponding version of kinetic theory.

cond-mat.stat-mech↗
arXiv1998

Liquid-gas phase transition in finite nuclei within Fermionic Molecular Dynamics

Within Fermionic Molecular Dynamics (FMD) a quantal nuclear system with only 16 nucleons shows a clearly visible liquid-gas phase transition. The FMD model is an approximation to the many-body problem which describes the system by antisymmetrized many-body states in which each nucleon is occupying a Gaussian shaped time-dependent wave-packet. The statistical ensemble is obtained by time averaging.

nucl-th↗
arXiv1998

Investigations on finite ideal quantum gases

Recursion formulae of the N-particle partition function, the occupation numbers and its fluctuations are given using the single-particle partition function. Exact results are presented for fermions and bosons in a common one-dimensional harmonic oscillator potential, for the three-dimensional harmonic oscillator approximations are tested. Applications to excited nuclei and Bose-Einstein condensation are discussed.

cond-mat.stat-mech↗
arXiv1998

Fermionic Molecular Dynamics and short range correlations

Fermionic Molecular Dynamics (FMD) models a system of fermions by means of many-body states which are composed of antisymmetrized products of single-particle states. These consist of one or several Gaussians localized in coordinate and momentum space. The parameters specifying them are the dynamical variables of the model. As the repulsive core of the nucleon-nucleon interaction induces short range correlations which cannot be accommodated by a Slater determinant, a novel approach, the unitary correlation operator method (UCOM), is applied. The unitary correlator moves two particles away from each other whenever their relative distance is within the repulsive core. The time-dependent variational principle yields the equations of motion for the variables. Energies of the stationary ground states are calculated and compared to exact many-body results for nuclei up to Ca 48. Time-dependent solutions are shown for collisions between nuclei.

nucl-th↗
arXiv1997

Molecular dynamics investigations on a quantum system in a thermostat

The model quantum system of fermions in a one dimensional harmonic oscillator potential is investigated by a molecular dynamics method at constant temperature. Although in quantum mechanics the equipartition theorem cannot be used like in the Nose-Hoover-thermostat it is possible to couple an additional degree of freedom to the system which acts as a thermometer and drives the system towards the desired temperature via complex time steps.

cond-mat.stat-mech↗
arXiv1997

A unitary correlation operator method

The short range repulsion between nucleons is treated by a unitary correlation operator which shifts the nucleons away from each other whenever their uncorrelated positions are within the replusive core. By formulating the correlation as a transformation of the relative distance between particle pairs, general analytic expressions for the correlated wave functions and correlated operators are given. The decomposition of correlated operators into irreducible n-body operators is discussed. The one- and two-body-irreducible parts are worked out explicitly and the contribution of three-body correlations is estimated to check convergence. Ground state energies of nuclei up to mass number A=48 are calculated with a spin-isospin-dependent potential and single Slater determinants as uncorrelated states. They show that the deduced energy- and mass-number-independent correlated two-body Hamiltonian reproduces all "exact" many-body calculations surprisingly well.

nucl-th↗
arXiv1997

The nuclear liquid-gas phase transition within Fermionic Molecular Dynamics

The time evolution of excited nuclei, which are in equilibrium with the surrounding vapour, is investigated. It is shown that the finite nuclear systems undergo a first oder phase transition. The caloric curve is presented for excited Oxygen, Magnesium, Aluminum and Calcium and the critical temperature is estimated for Oxygen.

nucl-th↗