We examine a phase transition in a model of random spatial permutations which originates in a study of the interacting Bose gas. Permutations are weighted according to point positions; the low-temperature onset of the appearance of arbitrarily long cycles is connected to the phase transition of Bose-Einstein condensates. In our simplified model, point positions are held fixed on the fully occupied cubic lattice and interactions are expressed as Ewens-type weights on cycle lengths of permutations. The critical temperature of the transition to long cycles depends on an interaction-strength parameter α. For weak interactions, the shift in critical temperature is expected to be linear in α with constant of linearity c. Using Markov chain Monte Carlo methods and finite-size scaling, we find c = 0.618 ± 0.086. This finding matches a similar analytical result of Ueltschi and Betz. We also examine the mean longest cycle length as a fraction of the number of sites in long cycles, recovering an earlier result of Shepp and Lloyd for non-spatial permutations. The plan of this paper is as follows. We begin with a non-technical discussion of the historical context of the project, along with a mention of alternative approaches. Relevant previous works are cited, thus annotating the bibliography. The random-cycle approach to the BEC problem requires a model of spatial permutations. This model it is of its own probabilistic interest; it is developed mathematically, without reference to the Bose gas. Our Markov-chain Monte Carlo algorithms for sampling from the random-cycle distribution - the swap-only, swap-and-reverse, band-update, and worm algorithms - are presented, compared, and contrasted. Finite-size scaling techniques are used to obtain information about infinite-volume quantities from finite-volume computational data.

We study the unusual phases seen in charge transfer salts (CTS) at 1/2 and 1/4 filling. We use the Holstein-Hubbard model (HHM) and the Peierls extended Hubbard model (PEH) to study competing phases in CTS. In the 1/2illed HHM the Holstein coupling promotes a Peierls charge-density wave phase while the on-site Coulomb repulsion U gives rise to antiferromagnetic correlations and a Mott insulating state. Takada et al. have shown possibility of a third metallic phase between the Mott and the Peierls phase. We investigate the presence of an intermediate phase between the Mott and Peierls phase using Stochastic Series Expansion (SSE) method. We used charge and spin susceptibilities to determine the phase boundaries. As the coupling is increased a spin gap opens followed by the Peierls transition. The intermediate phase is metallic and has a spin gap but no charge gap. Transitions from the Mott to intermediate and intermediate to Peierls state are Kosterlitz-Thouless type (KT). As the coulomb repulsion is increaed beyond certain value the two KT transitions fuse to give a single first order transition. Similar behavior is seen at 1/4illed HHM. We also studied the temperature dependence of charge ordering (CO) in 1/4illed CTS. Most previous theoretical studies of the on CTS have concentrated on ground state or T=0 properties. Here we show the evolution of charge ordered (CO) state with temperature and directly related the experimental phase diagram with our theoretical results. Our calculations show that as temperature is lowered the Wigner crystal state gives way to spin-Peierls state with a different pattern of CO. Also we show that the critical value of nearest neighbor Coulomb repulsion is depends on the total spin and is different for different spin subspace.

The determination of the phase boundary between the charge density wave and the Luttinger Liquid phase for the one-dimensional Peierls extended Hubbard model is done using Stochastic Series Expansion and comparison is done with the phase boundary for the Extended Hubbard model. The result of adding an electron-phonon interaction is that the charge density wave phase weakens. par The energy autocorrelation time is reported for the Extended Hubbard Model and the Peierls Hubbard Model. For coupling near and above the critical coupling the autocorrelation time increases exponentially. par Also investigated is the presence of a spin gap and the critical value of phonon coupling with respect to two parameters, (1) the bare phonon frequency and (2) different U, at one-quarter filling.