Instabilities and Non-Reversibility of Molecular Dynamics Trajectories

The theoretical justification of the Hybrid Monte Carlo algorithm depends upon the molecular dynamics trajectories within it being exactly reversible. If computations were carried out with exact arithmetic then it would be easy to ensure such reversibility, but the use of approximate floating point arithmetic inevitably introduces violations of reversibility. In the absence of evidence to the contrary, we are usually prepared to accept that such rounding errors can be made small enough to be innocuous, but in certain circumstances they are exponentially amplified and lead to blatantly erroneous results. We show that there are two types of instability of the molecular dynamics trajectories which lead to this behavior, instabilities due to insufficiently accurate numerical integration of Hamilton's equations, and intrinsic chaos in the underlying continuous fictitious time equations of motion themselves. We analyze the former for free field theory, and show that it is essentially a finite volume effect. For the latter we propose a hypothesis as to how the Liapunov exponent describing the chaotic behavior of the fictitious time equations of motion for an asymptotically free quantum field theory behaves as the system is taken to its continuum limit, and explain why this means that instabilities in molecular dynamics trajectories are not a significant problem for Hybrid Monte Carlo computations. We present data for pure $SU(3)$ gauge theory and for QCD with dynamical fermions on small lattices to illustrate and confirm some of our results.Comment: 28 pages latex with 19 color postscript figures included by eps

On Gauge Invariance of Breit-Wigner Propagators

We present an approach to bosonic ($Z^0, W^{\pm}$) as well as fermionic (top-quark) Breit-Wigner propagators which is consistent with gauge invariance arguments. In particular, for the $Z^0$-boson propagator we extend previous analyses and show that the part proportional to $k_{\mu} k_{\nu}/M^2$ must be modified near the resonance. We derive a mass shift which agrees with results obtained elsewhere by different methods. The modified form of a resonant heavy fermion propagator is also given.Comment: 16 p., TeX, (final version

Morphologic variation of the diaphragmatic crura: a correlation with pathologic processes of the esophageal hiatus?

The contributions of muscle fibers from the right and left diaphragmatic crura to the formation of the esophageal hiatus have been documented in several studies, none coming to a complete consensus on the number of anatomic variations or the prevalence of these variations in the human population. These variations may play a role in the pathogenicity of specific diseases that involve the esophageal hiatus, such as hiatal hernias. We examined a total of two hundred adult cadavers during 2000-2007. The variations in the diaphragmatic crura, particularly their muscular contributions to the formation of the esophageal hiatus, were grossly examined and revealed a bilateral occurrence of diaphragmatic crura in all 200 specimens. The results of the various morphological patterns of circumferential muscle fibers forming the esophageal hiatus were classified into six groups. The most common type (Type I, 45%) formed the esophageal hiatus from muscular contributions arising solely from the right crus. In Type II (20%) the esophageal hiatus was formed by muscular contributions from the right and left crura. In Type III (15%), the right and left muscular contributions arose from the right crus with an additional band from the left crus. Type IV (10%) showed that the right and left muscular contributions arose from the right crus, with two additional (anterior and posterior) bands arising from the left crus. Type V (5%) demonstrated the contributions arising solely from the left crus. In Type VI (5%) the right and left contributions originated from the left crus with two additional bands, one from the right crus and one from the left crus. These variations may play a role in the pathogenicity of specific diseases that involve the esophageal hiatus such as hiatal hernia, gastroesophageal reflux disease and Dunbar’s syndrome

Multigrid Monte Carlo Algorithms for SU(2) Lattice Gauge Theory: Two versus Four Dimensions

We study a multigrid method for nonabelian lattice gauge theory, the time slice blocking, in two and four dimensions. For SU(2) gauge fields in two dimensions, critical slowing down is almost completely eliminated by this method. This result is in accordance with theoretical arguments based on the analysis of the scale dependence of acceptance rates for nonlocal Metropolis updates. The generalization of the time slice blocking to SU(2) in four dimensions is investigated analytically and by numerical simulations. Compared to two dimensions, the local disorder in the four dimensional gauge field leads to kinematical problems.Comment: 24 pages, PostScript file (compressed and uuencoded), preprint MS-TPI-94-

Quark Mass Textures and sin 2 beta

Recent precise measurements of sin 2 beta from the B-factories (BABAR and BELLE) and a better known strange quark mass from lattice QCD make precision tests of predictive texture models possible. The models tested include those hierarchical N-zero textures classified by Ramond, Roberts and Ross, as well as any other hierarchical matrix Ansatz with non-zero 12 = 21 and vanishing 11 and 13 elements. We calculate the maximally allowed value for sin 2 beta in these models and show that all the aforementioned models with vanishing 11 and 13 elements are ruled out at the 3 sigma level. While at present sin 2 beta and |Vub/Vcb| are equally good for testing N-zero texture models, in the near future the former will surpass the latter in constraining power.Comment: 1+20 pages, 2 figures, JHEP3 clas

A numerical reinvestigation of the Aoki phase with N_f=2 Wilson fermions at zero temperature

We report on a numerical reinvestigation of the Aoki phase in lattice QCD with two flavors of Wilson fermions where the parity-flavor symmetry is spontaneously broken. For this purpose an explicitly symmetry-breaking source term $h\bar{\psi} i \gamma_{5} \tau^{3}\psi$ was added to the fermion action. The order parameter $$ was computed with the Hybrid Monte Carlo algorithm at several values of $(\beta,\kappa,h)$ on lattices of sizes $4^4$ to $12^4$ and extrapolated to $h=0$. The existence of a parity-flavor breaking phase can be confirmed at $\beta=4.0$ and 4.3, while we do not find parity-flavor breaking at $\beta=4.6$ and 5.0.Comment: 8 pages, 5 figures, Revised version as to be published in Phys.Rev.

Logarithmic Corrections in the 2D XY Model

Using two sets of high-precision Monte Carlo data for the two-dimensional XY model in the Villain formulation on square $L \times L$ lattices, the scaling behavior of the susceptibility $\chi$ and correlation length $\xi$ at the Kosterlitz-Thouless phase transition is analyzed with emphasis on multiplicative logarithmic corrections $(ln L)^{-2r}$ in the finite-size scaling region and $(ln \xi)^{-2r}$ in the high-temperature phase near criticality, respectively. By analyzing the susceptibility at criticality on lattices of size up to $512^2$ we obtain $r = -0.0270(10)$, in agreement with recent work of Kenna and Irving on the the finite-size scaling of Lee-Yang zeros in the cosine formulation of the XY model. By studying susceptibilities and correlation lengths up to $\xi \approx 140$ in the high-temperature phase, however, we arrive at quite a different estimate of $r = 0.0560(17)$, which is in good agreement with recent analyses of thermodynamic Monte Carlo data and high-temperature series expansions of the cosine formulation.Comment: 13 pages, LaTeX + 8 postscript figures. See also http://www.cond-mat.physik.uni-mainz.de/~janke/doc/home_janke.htm

Electromagnetic vertex function of the pion at T > 0

The matrix element of the electromagnetic current between pion states is calculated in quenched lattice QCD at a temperature of $T = 0.93 T_c$. The nonperturbatively improved Sheikholeslami-Wohlert action is used together with the corresponding ${\cal O}(a)$ improved vector current. The electromagnetic vertex function is extracted for pion masses down to $360 {\rm MeV}$ and momentum transfers $Q^2 \le 2.7 {\rm GeV}^2$.Comment: 17 pages, 8 figure

Molecular spintronics: Coherent spin transfer in coupled quantum dots

Time-resolved Faraday rotation has recently demonstrated coherent transfer of electron spin between quantum dots coupled by conjugated molecules. Using a transfer Hamiltonian ansatz for the coupled quantum dots, we calculate the Faraday rotation signal as a function of the probe frequency in a pump-probe setup using neutral quantum dots. Additionally, we study the signal of one spin-polarized excess electron in the coupled dots. We show that, in both cases, the Faraday rotation angle is determined by the spin transfer probabilities and the Heisenberg spin exchange energy. By comparison of our results with experimental data, we find that the transfer matrix element for electrons in the conduction band is of order 0.08 eV and the spin transfer probabilities are of order 10%.Comment: 13 pages, 6 figures; minor change

Spectrum of the SU(3) Dirac operator on the lattice: Transition from random matrix theory to chiral perturbation theory

We calculate complete spectra of the Kogut-Susskind Dirac operator on the lattice in quenched SU(3) gauge theory for various values of coupling constant and lattice size. From these spectra we compute the connected and disconnected scalar susceptibilities and find agreement with chiral random matrix theory up to a certain energy scale, the Thouless energy. The dependence of this scale on the lattice volume is analyzed. In the case of the connected susceptibility this dependence is anomalous, and we explain the reason for this. We present a model of chiral perturbation theory that is capable of describing the data beyond the Thouless energy and that has a common range of applicability with chiral random matrix theory.Comment: 8 pages, RevTeX, 15 .eps figure