Searcharxiv⌕ Search

arXiv subjects

Thomas Luu

Publications and source records attributed to Thomas Luu.

70 records · Page 4Linked to original sources

Extracting the Single-Particle Gap in Carbon Nanotubes with Lattice Quantum Monte Carlo

We show how lattice Quantum Monte Carlo simulations can be used to calculate electronic properties of carbon nanotubes in the presence of strong electron-electron correlations. We employ the path integral formalism and use methods developed within the lattice QCD community for our numerical work and compare our results to empirical data of the Anti-Ferromagnetic Mott Insulating gap in large diameter tubes.

hep-lat↗

Hubbard-Stratonovich-like Transformations for Few-Body Interactions

Through the development of many-body methodology and algorithms, it has become possible to describe quantum systems composed of a large number of particles with great accuracy. Essential to all these methods is the application of auxiliary fields via the Hubbard-Stratonovich transformation. This transformation effectively reduces two-body interactions to interactions of one particle with the auxiliary field, thereby improving the computational scaling of the respective algorithms. The relevance of collective phenomena and interactions grows with the number of particles. For many theories, e.g. Chiral Perturbation Theory, the inclusion of three-body forces has become essential in order to further increase the accuracy on the many-body level. In this proceeding, the analytical framework for establishing a Hubbard-Stratonovich-like transformation, which allows for the systematic and controlled inclusion of contact three- and more-body interactions, is presented.

nucl-th↗

Sampling General N-Body Interactions with Auxiliary Fields

We present a general auxiliary field transformation which generates effective interactions containing all possible N-body contact terms. The strength of the induced terms can analytically be described in terms of general coefficients associated with the transformation and thus are controllable. This transformation provides a novel way for sampling 3- and 4-body (and higher) contact interactions non-perturbatively in lattice quantum monte-carlo simulations. We show that our method reproduces the exact solution for a two-site quantum mechanical problem.

nucl-th↗

Neutron-proton scattering at next-to-next-to-leading order in Nuclear Lattice Effective Field Theory

We present a systematic study of neutron-proton scattering in Nuclear Lattice Effective Field Theory (NLEFT), in terms of the computationally efficient radial Hamiltonian method. Our leading-order (LO) interaction consists of smeared, local contact terms and static one-pion exchange. We show results for a fully non-perturbative analysis up to next-to-next-to-leading order (NNLO), followed by a perturbative treatment of contributions beyond LO. The latter analysis anticipates practical Monte Carlo simulations of heavier nuclei. We explore how our results depend on the lattice spacing a, and estimate sources of uncertainty in the determination of the low-energy constants of the next-to-leading-order (NLO) two-nucleon force. We give results for lattice spacings ranging from a = 1.97 fm down to a = 0.98 fm, and discuss the effects of lattice artifacts on the scattering observables. At a = 0.98 fm, lattice artifacts appear small, and our NNLO results agree well with the Nijmegen partial-wave analysis for S-wave and P-wave channels. We expect the peripheral partial waves to be equally well described once the lattice momenta in the pion-nucleon coupling are taken to coincide with the continuum dispersion relation, and higher-order (N3LO) contributions are included. We stress that for center-of-mass momenta below 100 MeV, the physics of the two-nucleon system is independent of the lattice spacing.

nucl-th↗

Quantum Monte Carlo Calculations for Carbon Nanotubes

We show how lattice Quantum Monte Carlo can be applied to the electronic properties of carbon nanotubes in the presence of strong electron-electron correlations. We employ the path-integral formalism and use methods developed within the lattice QCD community for our numerical work. Our lattice Hamiltonian is closely related to the hexagonal Hubbard model augmented by a long-range electron-electron interaction. We apply our method to the single-quasiparticle spectrum of the (3,3) armchair nanotube configuration, and consider the effects of strong electron-electron correlations. Our approach is equally applicable to other nanotubes, as well as to other carbon nanostructures. We benchmark our Monte Carlo calculations against the two- and four-site Hubbard models, where a direct numerical solution is feasible.

cond-mat.str-el↗

Applying Twisted Boundary Conditions for Few-body Nuclear Systems

We describe and implement twisted boundary conditions for the deuteron and triton systems within finite-volumes using the nuclear lattice EFT formalism. We investigate the finite-volume dependence of these systems with different twists angles. We demonstrate how various finite-volume information can be used to improve calculations of binding energies in such a framework. Our results suggests that with appropriate twisting of boundaries, infinite-volume binding energies can be reliably extracted from calculations using modest volume sizes with cubic length $L\approx8-14$ fm. Of particular importance is our derivation and numerical verification of three-body analogue of `i-periodic' twist angles that eliminate the leading order finite-volume effects to the three-body binding energy.

nucl-th↗

The nucleon electric dipole moment with the gradient flow: the $θ$-term contribution

We propose a new method to calculate electric dipole moments induced by the strong QCD $θ$-term. The method is based on the gradient flow for gauge fields and is free from renormalization ambiguities. We test our method by computing the nucleon electric dipole moments in pure Yang-Mills theory at several lattice spacings, enabling a first-of-its-kind continuum extrapolation. The method is rather general and can be applied for any quantity computed in a $θ$ vacuum. This first application of the gradient flow has been successful and demonstrates proof-of-principle, thereby providing a novel method to obtain precise results for nucleon and light nuclear electric dipole moments.

hep-lat↗

Nuclear Lattice Simulations using Symmetry-Sign Extrapolation

Projection Monte Carlo calculations of lattice Chiral Effective Field Theory suffer from sign oscillations to a varying degree dependent on the number of protons and neutrons. Hence, such studies have hitherto been concentrated on nuclei with equal numbers of protons and neutrons, and especially on the alpha nuclei where the sign oscillations are smallest. Here, we introduce the "symmetry-sign extrapolation" method, which allows us to use the approximate Wigner SU(4) symmetry of the nuclear interaction to systematically extend the Projection Monte Carlo calculations to nuclear systems where the sign problem is severe. We benchmark this method by calculating the ground-state energies of the $^{12}$C, $^6$He and $^6$Be nuclei, and discuss its potential for studies of neutron-rich halo nuclei and asymmetric nuclear matter.

nucl-th↗

Ab initio alpha-alpha scattering

Processes involving alpha particles and alpha-like nuclei comprise a major part of stellar nucleosynthesis and hypothesized mechanisms for thermonuclear supernovae. In an effort towards understanding alpha processes from first principles, we describe in this letter the first ab initio calculation of alpha-alpha scattering. We use lattice effective field theory to describe the low-energy interactions of nucleons and apply a technique called the adiabatic projection method to reduce the eight-body system to an effective two-cluster system. We find good agreement between lattice results and experimental phase shifts for S-wave and D-wave scattering. The computational scaling with particle number suggests that alpha processes involving heavier nuclei are also within reach in the near future.

nucl-th↗

Two-Nucleon Systems in a Finite Volume: (II) 3S1-3D1 Coupled Channels and the Deuteron

The energy spectra of two nucleons in a cubic volume provide access to the two phase shifts and one mixing angle that define the S-matrix in the 3S1-3D1 coupled channels containing the deuteron. With the aid of recently derived energy quantization conditions for such systems, and the known scattering parameters, these spectra are predicted for a range of volumes. It is found that extractions of the infinite-volume deuteron binding energy and leading scattering parameters, including the S-D mixing angle at the deuteron pole, are possible from Lattice QCD calculations of two-nucleon systems with boosts of |P| <= 2pi sqrt{3}/L in volumes with 10 fm <~ L <~ 14 fm. The viability of extracting the asymptotic D/S ratio of the deuteron wavefunction from Lattice QCD calculations is discussed.

hep-lat↗

Quantile Mechanics II: Changes of Variables in Monte Carlo methods and GPU-Optimized Normal Quantiles

This article presents differential equations and solution methods for the functions of the form $Q(x) = F^{-1}(G(x))$, where $F$ and $G$ are cumulative distribution functions. Such functions allow the direct recycling of Monte Carlo samples from one distribution into samples from another. The method may be developed analytically for certain special cases, and illuminate the idea that it is a more precise form of the traditional Cornish-Fisher expansion. In this manner the model risk of distributional risk may be assessed free of the Monte Carlo noise associated with resampling. Examples are given of equations for converting normal samples to Student t, and converting exponential to hyperbolic, variance gamma and normal. In the case of the normal distribution, the change of variables employed allows the sampling to take place to good accuracy based on a single rational approximation over a very wide range of the sample space. The avoidance of any branching statement is of use in optimal GPU computations as it avoids the effect of {\it warp divergence}, and we give examples of branch-free normal quantiles that offer performance improvements in a GPU environment, while retaining the best precision characteristics of well-known methods. We also offer models based on a low-probability of warp divergence. Comparisons of new and old forms are made on the Nvidia Quadro 4000, GTX 285 and 480, and Tesla C2050 GPUs. We argue that in single-precision mode, the change-of-variables approach offers performance competitive with the fastest existing scheme while substantially improving precision, and that in double-precision mode, this approach offers the most GPU-optimal Gaussian quantile yet, and without compromise on precision for Monte Carlo applications, working twice as fast as the CUDA 4 library function with increased precision.

q-fin.CP↗

Quark mass variation constraints from Big Bang nucleosynthesis

We study the impact on the primordial abundances of light elements created by a variation of the quark masses at the time of Big Bang nucleosynthesis (BBN). In order to navigate through the particle and nuclear physics required to connect quark masses to binding energies and reaction rates in a model-independent way, we use lattice QCD data and a hierarchy of effective field theories. We find that the measured Helium-4 abundances put a bound of -1 % <~ d m_q/m_q <~ 0.7 % on a possible variation of quark masses. The effect of quark mass variations on the deuterium abundances can be largely compensated by changes of the baryon-to-photon ratio eta. Including bounds on the variation of eta coming from WMAP results and adding some additional assumptions further narrows the range of allowed values of d m_q/m_q.

nucl-th↗

Extracting Scattering Phase-Shifts in Higher Partial-Waves from Lattice QCD Calculations

Lüscher's method is routinely used to determine meson-meson, meson-baryon and baryon-baryon s-wave scattering amplitudes below inelastic thresholds from Lattice QCD calculations - presently at unphysical light-quark masses. In this work we review the formalism and develop the requisite expressions to extract phase-shifts describing meson-meson scattering in partial-waves with angular-momentum l<=6 and l=9. The implications of the underlying cubic symmetry, and strategies for extracting the phase-shifts from Lattice QCD calculations, are presented, along with a discussion of the signal-to-noise problem that afflicts the higher partial-waves.

hep-lat↗

Nucleon-Nucleon Scattering in a Harmonic Potential

The discrete energy-eigenvalues of two nucleons interacting with a finite-range nuclear force and confined to a harmonic potential are used to numerically reconstruct the free-space scattering phase shifts. The extracted phase shifts are compared to those obtained from the exact continuum scattering solution and agree within the uncertainties of the calculations. Our results suggest that it might be possible to determine the amplitudes for the scattering of complex systems, such as n-d, n-t or n-alpha, from the energy-eigenvalues confined to finite volumes using ab-initio bound-state techniques.

nucl-th↗

Three fermions in a box

I calculate finite-volume effects for three identical spin-1/2 fermions in a box assuming short-ranged repulsive interactions of `natural size'. This analysis employs standard perturbation theory in powers of 1/L, where L^3 is the volume of the box. I give results for the ground states in the A_1, T_1, and E cubic representations.

hep-lat↗

The K+K+ Scattering Length from Lattice QCD

The K+K+ scattering length is calculated in fully-dynamical lattice QCD with domain-wall valence quarks on the MILC asqtad-improved gauge configurations with rooted staggered sea quarks. Three-flavor mixed-action chiral perturbation theory at next-to-leading order, which includes the leading effects of the finite lattice spacing, is used to extrapolate the results of the lattice calculation to the physical value of m_{K+}/f_{K+}. We find m_{K+} a_{K+K+} = -0.352 +- 0.016, where the statistical and systematic errors have been combined in quadrature.

hep-lat↗