Oliver Mülken

Classification of Phase Transitions in Small Systems

We present a classification scheme for phase transitions in finite systems like atomic and molecular clusters based on the Lee-Yang zeros in the complex temperature plane. In the limit of infinite particle numbers the scheme reduces to the Ehrenfest definition of phase transitions and gives the right critical indices. We apply this classification scheme to Bose-Einstein condensates in a harmonic trap as an example of a higher order phase transition in a finite system and to small Ar clusters.

Survival Probabilities in Coherent Exciton Transfer with Trapping

In the quest for signatures of coherent transport we consider exciton trapping in the continuous-time quantum walk framework. The survival probability displays different decay domains, related to distinct regions of the spectrum of the Hamiltonian. For linear systems and at intermediate times the decay obeys a power law, in contrast with the corresponding exponential decay found in incoherent continuous-time random walk situations. To differentiate between the coherent and incoherent mechanisms, we present an experimental protocol based on a frozen Rydberg gas structured by optical dipole traps.

Coherent exciton transport in dendrimers and continuous-time quantum walks.

We model coherent exciton transport in dendrimers by continuous-time quantum walks. For dendrimers up to the second generation the coherent transport shows perfect recurrences when the initial excitation starts at the central node. For larger dendrimers, the recurrence ceases to be perfect, a fact which resembles results for discrete quantum carpets. Moreover, depending on the initial excitation site, we find that the coherent transport to certain nodes of the dendrimer has a very low probability. When the initial excitation starts from the central node, the problem can be mapped onto a line which simplifies the computational effort. Furthermore, the long time average of the quantum mechanical transition probabilities between pairs of nodes shows characteristic patterns and allows us to classify the nodes into clusters with identical limiting probabilities. For the (space) average of the quantum mechanical probability to be still or to be again at the initial site, we obtain, based on the Cauchy-Schwarz inequality, a simple lower bound which depends only on the eigenvalue spectrum of the Hamiltonian.

Quantum transport on small-world networks: a continuous-time quantum walk approach.

We consider the quantum mechanical transport of (coherent) excitons on small-world networks (SWNs). The SWNs are built from a one-dimensional ring of N nodes by randomly introducing B additional bonds between them. The exciton dynamics is modeled by continuous-time quantum walks, and we evaluate numerically the ensemble-averaged transition probability to reach any node of the network from the initially excited one. For sufficiently large B we find that the quantum mechanical transport through the SWNs is, first, very fast, given that the limiting value of the transition probability is reached very quickly, and second, that the transport does not lead to equipartition, given that on average the exciton is most likely to be found at the initial node.

Dynamics of continuous-time quantum walks in restricted geometries

We study quantum transport on finite discrete structures and we model the process by means of continuous-time quantum walks. A direct and effective comparison between quantum and classical walks can be attained based on the average displacement of the walker as a function of time. Indeed, a fast growth of the average displacement can be advantageously exploited to build up efficient search algorithms. By means of analytical and numerical investigations, we show that the finiteness and the inhomogeneity of the substrate jointly weaken the quantum-walk performance. We further highlight the interplay between the quantum-walk dynamics and the underlying topology by studying the temporal evolution of the transfer probability distribution and the lower bound of long-time averages.

Spacetime structures of continuous-time quantum walks

The propagation by continuous-time quantum walks (CTQWs) on one-dimensional lattices shows structures in the transition probabilities between different sites reminiscent of quantum carpets. For a system with periodic boundary conditions, we calculate the transition probabilities for a CTQW by diagonalizing the transfer matrix and by a Bloch function ansatz. Remarkably, the results obtained for the Bloch function ansatz can be related to results from (discrete) generalized coined quantum walks. Furthermore, we show that here the first revival time turns out to be larger than for quantum carpets.

Calculation of thermodynamic properties of finite Bose-Einstein systems

We derive an exact recursion formula for the calculation of thermodynamic functions of finite systems obeying Bose-Einstein statistics. The formula is applicable for canonical systems where the particles can be treated as noninteracting in some approximation, e.g., like Bose-Einstein condensates in magnetic traps. The numerical effort of our computation scheme grows only linearly with the number of particles. As an example, we calculate the relative ground-state fluctuations and specific heats for ideal Bose gases with a finite number of particles enclosed in containers of different shapes.

Efficiency of quantum and classical transport on graphs

We propose a measure to quantify the efficiency of classical and quantum mechanical transport processes on graphs. The measure only depends on the density of states (DOS), which contains all the necessary information about the graph. For some given (continuous) DOS, the measure shows a power law behavior, where the exponent for the quantum transport is twice the exponent of its classical counterpart. For small-world networks, however, the measure shows rather a stretched exponential law but still the quantum transport outperforms the classical one. Some finite tree graphs have a few highly degenerate eigenvalues, such that, on the other hand, on them the classical transport may be more efficient than the quantum one.

The interplay between shell effects and electron correlations in quantum dots

We use the path integral Monte Carlo method to investigate the interplay between shell effects and electron correlations in single quantum dots with up to 12 electrons. By use of an energy estimator based on the hypervirial theorem of Hirschfelder we study the energy contributions of different interaction terms in detail. We discuss under which conditions the total spin of the electrons is given by Hund’s rule, and the temperature dependence of the crystallization effects.

Classification of phase transitions of finite Bose-Einstein condensates in power law traps by Fisher zeros

We present a detailed description of a classification scheme for phase transitions in finite systems based on the distribution of Fisher zeros of the canonical partition function in the complex temperature plane. We apply this scheme to finite Bose systems in power-law traps within a semi-analytic approach with a continuous one-particle density of states O(E)~Ed-1 for different values of d and to a three-dimensional harmonically confined ideal Bose gas with discrete energy levels. Our results indicate that the order of the Bose-Einstein condensation phase transition sensitively depends on the confining potential.