Structural and ultrametric properties of twenty(L-alanine)

We study local energy minima of twenty(L-alanine). The minima are generated using high-temperature Molecular Dynamics and Chain-Growth Monte Carlo simulations, with subsequent minimization. We find that the lower-energy configurations are $\alpha$-helices for a wide range of dielectric constant values $(\epsilon = 1,10,80),$ and that there is no noticeable difference between the distribution of energy minima in $\phi \psi$ space for different values of $\epsilon .$ Ultrametricity tests show that lower-energy $(\alpha$ -helical) $\epsilon =1$ configurations form a set which is ultrametric to a certain degree, providing evidence for the presence of fine structure among those minima. We put forward a heuristic argument for this fine structure. We also find evidence for ultrametricity of a different kind among $\epsilon =10$ and $\epsilon =80$ energy minima. We analyze the distribution of lengths of $\alpha$-helical portions among the minimized configurations and find a persistence phenomenon for the $\epsilon =1$ ones, in qualitative agreement with previous studies of critical lengths. Email contact: [email protected]: Saclay-T93/025 Email: [email protected]

Interquark potential for the charmonium system with almost physical quark masses

We study an interquark QQ^bar potential for the charmonium system, that is determined from the the equal-time and Coulomb gauge QQ^bar Bethe-Salpeter (BS) wavefunction through the effective Schr\"odinger equation. This novel approach enables us to evaluate a kinetic heavy quark mass m_Q and a proper interquark potential at finite quark mass m_Q, which receives all orders of 1/m_Q corrections on the static QQ^bar potential from Wilson loops, simultaneously. Precise information of the interquark potential for both charmonium and bottomonium states directly from lattice QCD provides us a chance to improve quark potential models, where the spin-independent interquark potential is phenomenologically described by the Cornell potential and the spin-dependent parts are deduced within the framework of perturbative QCD, from first-principles calculations. In this study, calculations are carried out in both quenched and dynamical fermion simulations. We first demonstrate that the interquark potential at finite quark mass calculated by the BS amplitude method smoothly approaches the conventional static heavy quark potential from Wilson loops in the infinitely heavy quark limit within quenched lattice QCD simulations. Secondly, we determine both spin-independent and -dependent parts of the interquark potential for the charmonium system in 2+1 flavor dynamical lattice QCD using the PACS-CS gauge configurations at the lightest pion mass, M_\pi=156 MeV.Comment: 7 pages, 5 figures; To appear in proceedings of 29th International Symposium on Lattice Field Theory, Lattice2011, July 10-16, 2011, Squaw Valley, Lake Tahoe, California, US

Revisiting glueball wave functions at zero and finite temperature

We study the sizes and thermal properties of glueballs in a three dimensional compact Abelian gauge model on improved lattice. We predict the radii of $\sim 0.60$ and $\sim 1.12$ in the units of string tension, or $\sim 0.28$ and $\sim 0.52$ fm, for the scalar and tensor glueballs, respectively. We perform a well controlled extrapolation of the radii to the continuum limit and observe that our results agree with the predicted values. Using Monte Carlo simulations, we extract the pole-mass of the lowest scalar and tensor glueballs from the temporal correlators at finite temperature. We see a clear evidence of the deconfined phase, and the transition appears to be similar to that of the two-dimensional XY model as expected from universality arguments. Our results show no significant changes in the glueball wave functions and masses in the deconfined phase.Comment: 8 pages, 10 figure

Pion wave function from lattice QCD vs. chiral quark models

We analyze the equal-time Bethe-Salpeter quark wave function of the pion obtained from a quenched lattice QCD calculation with delocalized quark interpolators. We find that the result agrees remarkably well with the predictions of the Nambu--Jona-Lasinio model in all channels. We choose the quenched lattice QCD, since it is closer to the large-Nc limit of the Nambu--Jona-Lasinio model. We also show how transversity information, relevant for the light-cone physics, can be obtained from our equal-time rest-frame lattice calculations.Comment: 7 pages, 2 figure

More about orbitally excited hadrons from lattice QCD

This is a second paper describing the calculation of spectroscopy for orbitally excited states from lattice simulations of Quantum Chromodynamics. New features include higher statistics for P-wave systems and first results for the spectroscopy of D-wave mesons and baryons, for relatively heavy quark masses. We parameterize the Coulomb gauge wave functions for P-wave and D-wave systems and compare them to those of their corresponding S-wave states.Comment: 21 pages plus 14 figs, 3 include

A New Monte Carlo Algorithm for Protein Folding

We demonstrate that the recently proposed pruned-enriched Rosenbluth method (P. Grassberger, Phys. Rev. E 56 (1997) 3682) leads to extremely efficient algorithms for the folding of simple model proteins. We test them on several models for lattice heteropolymers, and compare to published Monte Carlo studies. In all cases our algorithms are faster than all previous ones, and in several cases we find new minimal energy states. In addition to ground states, our algorithms give estimates for the partition sum at finite temperatures.Comment: 4 pages, Latex incl. 3 eps-figs., submitted to Phys. Rev. Lett., revised version with changes in the tex

Mesonic Wavefunctions in the three-dimensional Gross-Neveu model

We present results from a numerical study of bound state wavefunctions in the (2+1)-dimensional Gross-Neveu model with staggered lattice fermions at both zero and nonzero temperature. Mesonic channels with varying quantum numbers are identified and analysed. In the strongly coupled chirally broken phase at T=0 the wavefunctions expose effects due to varying the interaction strength more effectively than straightforward spectroscopy. In the weakly coupled chirally restored phase information on fermion - antifermion scattering is recovered. In the hot chirally restored phase we find evidence for a screened interaction. The T=0 chirally symmetric phase is most readily distinguished from the symmetric phase at high T via the fermion dispersion relation.Comment: 18 page

Finite-size and quark mass effects on the QCD spectrum with two flavors

We have carried out spectrum calculations with two flavors of dynamical Kogut-Susskind quarks on four lattice sizes from $8^3\times 24$ to $16^3\times24$ at couplings that correspond to chiral symmetry restoration for a lattice with 6 time slices. We estimate that the linear spatial sizes of the lattices range from 1.8 to 3.6 fm. We find significant finite size effects for all particles between the smallest and largest volume with the larger quark mass that we study, $am_q=0.025$, where $a$ is the lattice spacing. The nucleon experiences the largest effect of about 6 percent. We also study a lighter quark mass, $am_q=0.0125$, on the two largest lattices. Effects of the dynamical and valence quark masses on the hadron spectrum are studied both directly, by comparing the two simulations, and by extracting mass derivatives from the correlation functions. We do not find much improvement in the nucleon to rho mass ratio as we decrease the quark mass at this lattice spacing. Finally, we report on an unsuccessful attempt to see effects of the $\rho \rightarrow 2\pi$ decay on the $\rho$ mass, and on studies of Wilson and Kogut-Susskind hadron masses with large valence quark masses. (The paper is also available via anonymous ftp in a compressed PostScript file: fuji.physics.indiana.edu:/pub/milc/paper.ps.Z .)Comment: IUHET-232, 54 pages. Posted here is the PostScript file including 15 embedded figure

Quantizing compact phase spaces: Irreducible representations from constrained dynamics

We study the quantization of the coset space SU(3)/U(1)×U(1), considered as an example of a compact phase space. We embed this system in the flat space C6 endowed with a Poisson-bracket structure, then quantize it as a constrained system, finding consistency only for isolated symplectic structures. The space of states for each admissible symplectic structure forms an irreducible representation of SU(3). In this way, we recover in the language of constrained dynamics some of the results of the Borel-Weil-Bott theorem and geometric quantization. © 1989 The American Physical Society.SCOPUS: ar.jinfo:eu-repo/semantics/publishe

A new Monte Carlo method to study protein structures

We introduce a new Monte Carlo method to study low energy structures of proteins (or, more generally, macromolecules). In contrast to molecular dynamics simulations, no initial guess is imposed. The method uses (i) an atom-by-atom growth procedure of the protein (ii) a protein replication procedure based on Boltzmann weights. Its application to alanine dipeptide and penta-alanine is briefly considered