Density functional theory with adaptive pair density

We propose a density functional to find the ground state energy and density of interacting particles, where both the density and the pair density can adjust in the presence of an inhomogeneous potential. As a proof of principle we formulate an a priori exact functional for the inhomogeneous Hubbard model. The functional has the same form as the Gutzwiller approximation but with an unknown kinetic energy reduction factor. An approximation to the functional based on the exact solution of the uniform problem leads to a substantial improvement over the local density approximation

A general software defect-proneness prediction framework

This is the author's accepted manuscript. The final published article is available from the link below. Copyright @ 2011 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other users, including reprinting/ republishing this material for advertising or promotional purposes, creating new collective works for resale or redistribution to servers or lists, or reuse of any copyrighted components of this work in other works.BACKGROUND - Predicting defect-prone software components is an economically important activity and so has received a good deal of attention. However, making sense of the many, and sometimes seemingly inconsistent, results is difficult. OBJECTIVE - We propose and evaluate a general framework for software defect prediction that supports 1) unbiased and 2) comprehensive comparison between competing prediction systems. METHOD - The framework is comprised of 1) scheme evaluation and 2) defect prediction components. The scheme evaluation analyzes the prediction performance of competing learning schemes for given historical data sets. The defect predictor builds models according to the evaluated learning scheme and predicts software defects with new data according to the constructed model. In order to demonstrate the performance of the proposed framework, we use both simulation and publicly available software defect data sets. RESULTS - The results show that we should choose different learning schemes for different data sets (i.e., no scheme dominates), that small details in conducting how evaluations are conducted can completely reverse findings, and last, that our proposed framework is more effective and less prone to bias than previous approaches. CONCLUSIONS - Failure to properly or fully evaluate a learning scheme can be misleading; however, these problems may be overcome by our proposed framework.National Natural Science Foundation of Chin

Absolute continuity of symmetric Markov processes

We study Girsanov's theorem in the context of symmetric Markov processes, extending earlier work of Fukushima-Takeda and Fitzsimmons on Girsanov transformations of ``gradient type.'' We investigate the most general Girsanov transformation leading to another symmetric Markov process. This investigation requires an extension of the forward-backward martingale method of Lyons-Zheng, to cover the case of processes with jumps.Comment: Published by the Institute of Mathematical Statistics (http://www.imstat.org) in the Annals of Probability (http://www.imstat.org/aop/) at http://dx.doi.org/10.1214/00911790400000043

Quantum phase diagram of an exactly solved mixed spin ladder

We investigate the quantum phase diagram of the exactly solved mixed spin-(1/2,1) ladder via the thermodynamic Bethe ansatz (TBA). In the absence of a magnetic field the model exhibits three quantum phases associated with su(2), su(4) and su(6) symmetries. In the presence of a strong magnetic field, there is a third and full saturation magnetization plateaux within the strong antiferromagnetic rung coupling regime. Gapless and gapped phases appear in turn as the magnetic field increases. For weak rung coupling, the fractional magnetization plateau vanishs and exhibits new quantum phase transitions. However, in the ferromagnetic coupling regime, the system does not have a third saturation magnetization plat eau. The critical behaviour in the vicinity of the critical points is also derived systematically using the TBA.Comment: 20 pages, 2 figure

Integrable models and quantum spin ladders: comparison between theory and experiment for the strong coupling ladder compounds

(abbreviated) This article considers recent advances in the investigation of the thermal and magnetic properties of integrable spin ladder models and their applicability to the physics of real compounds. The ground state properties of the integrable two-leg spin-1/2 and the mixed spin-(1/2,1) ladder models at zero temperature are analyzed by means of the Thermodynamic Bethe Ansatz. Solving the TBA equations yields exact results for the critical fields and critical behaviour. The thermal and magnetic properties of the models are investigated in terms of the recently introduced High Temperature Expansion method, which is discussed in detail. It is shown that in the strong coupling limit the integrable spin-1/2 ladder model exhibits three quantum phases: (i) a gapped phase in the regime $H<H_{c1}$, (ii) a fully polarised phase for $H>H_{c2}$, and (iii) a Luttinger liquid magnetic phase in the regime $H_{c1}<H<H_{c2}$. The critical behaviour in the vicinity of the critical points is of the Pokrovsky-Talapov type. The temperature-dependent thermal and magnetic properties are directly evaluated from the exact free energy expression and compared to known experimental results for a range of strong coupling ladder compounds. Similar analysis of the mixed spin-(1/2,1) ladder model reveals a rich phase diagram, with a 1/3 and a full saturation magnetisation plateau within the strong antiferromagnetic rung coupling regime. For weak rung coupling, the fractional magnetisation plateau is diminished and a new quantum phase transition occurs. The phase diagram can be directly deduced from the magnetisation curve obtained from the exact result derived from the HTE. The thermodynamics of the spin-orbital model with different single-ion anisotropies is also investigated.Comment: 90 pages, 33 figures, extensive revisio

Dynamic Monte Carlo Study of the Two-Dimensional Quantum XY Model

We present a dynamic Monte Carlo study of the Kosterlitz-Thouless phase transition for the spin-1/2 quantum XY model in two dimensions. The short-time dynamic scaling behaviour is found and the dynamical exponent $\theta$, $z$ and the static exponent $\eta$ are determined at the transition temperature.Comment: 6 pages with 3 figure