Quantum Physics Commons^™

Density Functional Calculations On Single Molecular (1d) And Van Der Waals Bi -Layered (2d) Magnets., Md Shamsul Alam

Open Access Theses & Dissertations

Low-dimensional magnetic materials show novel properties that is not seen in bulk magnets. The weak interactions such as spin-orbit interactions, electron correlation, van der Waals interaction in case magnetic bi-layers, play an important role in determining the properties of the system. Using density functional theory, we computationally investigated two categories of magnetic material- 1: Single Molecular Magnets (SMM) 2: Van der Waals layered Cr-Halide magnets. We used different classes of density functionals to examine the spin ordering and magnetic anisotropy barriers in several single molecule magnets - Mn12, Co4, Ni4, V15. We find that the magnetic anisotropy barrier significantly depends …

Some Fermi-Lowdin Orbital Self-Interaction Correction Studies On Atomic Systems, Christopher Alexis Ibarra

Open Access Theses & Dissertations

Density Function Theory (DFT) is a popular quantum chemistry calculation method with many appeals but also deficiencies. Many modification and additions to the method have been made over the years, such as self-interaction corrections and new density functional approximations. We review here the theoretical background needed for a basic understanding of quantum chemistry calculations. In addition, we present the quantum chemistry calculation method used in this paper called Fermi-Lowdin Self-Interaction Correction (FLOSIC), including the base code it was implemented on, the Naval Research Laboratory Molecular Orbital Library (NRLMOL) Code, and the resulting modified code simply called FLOSIC. Furthermore, we explore …

Development And Assesment Of Local Scaled Self-Interaction Corrected Density Functional Method With Simple Scaling Factor, Selim Romero

Open Access Theses & Dissertations

The Hohenberg-Kohn-Sham (HKS) density functional theory (DFT) is widely used to compute electronic structures of atoms, molecules, and solids. It is an exact theory in which ground state electron density plays the role of basic variable, same as the wavefunction does in quantum mechanics. The total ground state energy is a functional of electron density. The practical application of HKS DFT require approximation to the exchange-correlation energy functional. Many density functional approximations (DFAs) with various degree of sophistication and complexities have been developed. Depending on the complexity, these functionals include electron density, density gradients, density Laplacian, kinetic energy densities, Hartree-Fock …

Theoretical Studies Of C And Cp Violation In $\Eta \To \Pi^+ \Pi^- \Pi^0$ Decay, Jun Shi

Theses and Dissertations--Physics and Astronomy

A violation of mirror symmetry in the $\eta\to\pi^+\pi^-\pi^0$ Dalitz plot has long been recognized as a signal of C and CP violation. In this thesis, we show how the isospin of the underlying C- and CP-violating structures can be reconstructed from their kinematic representation in the Dalitz plot. Our analysis of the most recent experimental data reveals, for the first time, that the C- and CP-violating amplitude with total isospin I = 2 is much more severely suppressed than that with total isospin I = 0.

In searching for C- and CP-violating sources beyond the SM, we enumerate the leading-dimension, …

The Pion Form Factor And Momentum And Angular Momentum Fractions Of The Proton In Lattice Qcd, Gen Wang

Theses and Dissertations--Physics and Astronomy

Lattice Quantum Chromodynamics (QCD) provides a way to have a precise calculation and a new way of understanding the hadrons from first principles. From this perspective, this dissertation focuses first on a precise calculation of the pion form factor using overlap fermions on six ensembles of 2+1-flavor domain-wall configurations generated by the RBC/UKQCD collaboration with pion masses varying from 137 to 339 MeV. Taking advantage of the fast Fourier transform, low-mode substitution (LMS) and the multi-mass algorithm to access many combinations of source and sink momenta, we have done a simulation with various valence quark masses and with a range …

Sparsity And Weak Supervision In Quantum Machine Learning, Seyran Saeedi

Theses and Dissertations

Quantum computing is an interdisciplinary field at the intersection of computer science, mathematics, and physics that studies information processing tasks on a quantum computer. A quantum computer is a device whose operations are governed by the laws of quantum mechanics. As building quantum computers is nearing the era of commercialization and quantum supremacy, it is essential to think of potential applications that we might benefit from. Among many applications of quantum computation, one of the emerging fields is quantum machine learning. We focus on predictive models for binary classification and variants of Support Vector Machines that we expect to be …

Superconducting Radio-Frequency Cavity Fault Classification Using Machine Learning At Jefferson Laboratory, Chris Tennant, Adam Carpenter, Tom Powers, Anna Shabalina Solopova, Lasitha Vidyaratne, Khan Iftekharuddin

Electrical & Computer Engineering Faculty Publications

We report on the development of machine learning models for classifying C100 superconducting radio-frequency (SRF) cavity faults in the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Lab. CEBAF is a continuous-wave recirculating linac utilizing 418 SRF cavities to accelerate electrons up to 12 GeV through five passes. Of these, 96 cavities (12 cryomodules) are designed with a digital low-level rf system configured such that a cavity fault triggers waveform recordings of 17 rf signals for each of the eight cavities in the cryomodule. Subject matter experts are able to analyze the collected time-series data and identify which of the …

Origin Of Single Transverse-Spin Asymmetries In High-Energy Collisions, Justin Cammarota, Leonard Gamberg, Zhong-Bo Kang, Joshua A. Miller, Daniel Pitonyak, Alexei Prokudin, Ted C. Rogers, Nobuo Sato

Physics Faculty Publications

In this paper, we perform the first simultaneous QCD global analysis of data from semi-inclusive deep inelastic scattering, Drell-Yan, 𝑒⁺⁢𝑒⁻ annihilation into hadron pairs, and proton-proton collisions. Consequently, we are able to extract a universal set of nonperturbative functions that describes the observed asymmetries in these reactions. The outcome of our analysis indicates single transverse-spin asymmetries in high-energy collisions have a common origin. Furthermore, we achieve the first phenomenological agreement with lattice QCD on the up and down quark tensor charges.

Optical-Depth Scaling Of Light Scattering From A Dense And Cold Atomic 87Rb Gas, K. J. Kemp, S. J. Roof, M. D. Havey, I. M. Sokolov, D. V. Kupriyanov, W. Guerin

Physics Faculty Publications

We report investigation of near-resonance light scattering from a cold and dense atomic gas of ⁸⁷Rb atoms. Measurements are made for probe frequencies tuned near the F=2→ F'=3 nearly closed hyperfine transition, with particular attention paid to the dependence of the scattered light intensity on detuning from resonance, the number of atoms in the sample, and atomic sample size. We find that, over a wide range of experimental variables, the optical depth of the atomic sample serves as an effective single scaling parameter which describes well all the experimental data.

Intrinsic Transverse Momentum And Evolution In Weighted Spin Asymmetries, Jian-Wei Qiu, Ted C. Rogers, Bowen Wang

Physics Faculty Publications

The transverse momentum-dependent (TMD) and collinear higher twist theoretical factorization frameworks are the most frequently used approaches to describe spin-dependent hard cross sections weighted by and integrated over transverse momentum. Of particular interest is the contribution from small transverse momentum associated with the target bound state. In phenomenological applications, this contribution is often investigated using transverse momentum weighted integrals that sharply regulate the large transverse momentum contribution, for example, with Gaussian parametrizations. Since the result is a kind of hybrid of TMD and collinear (inclusive) treatments, it is important to establish if and how the formalisms are related in applications …

B-Meson Light-Cone Distribution Amplitude From Euclidean Quantities, Wei Wang, Yu-Ming Wang, Ji Xu, Shuai Zhao

Physics Faculty Publications

A new method for the model-independent determination of the light-cone distribution amplitude of the B-meson in heavy quark effective theory (HQET) is proposed by combining the large momentum effective theory and the numerical simulation technique on the Euclidean lattice. We demonstrate the autonomous scale dependence of the nonlocal quasi-HQET operator with the aid of the auxiliary field approach, and further determine the perturbative matching coefficient entering the hard-collinear factorization formula for the B-meson quasidistribution amplitude at the one-loop accuracy. These results will be crucial to explore the partonic structure of heavy-quark hadrons in the static limit and to …

Measurement Of The ³He Spin-Structure Functions And Of Neutron (³He) Spin-Dependent Sum Rules At 0 .035≤Q²≤0 .24 Gev², V. Sulkosky, D. Hayes, C. E. Hyde, P. E. Ulmer, X. Zheng, L. Zhu, Et Al., Jefferson Lab E97-110 Collaboration

Physics Faculty Publications

The spin-structure functions g₁ and g₂, and the spin-dependent partial cross-section σπ have been extracted from the polarized cross-sections differences,

Δσ∥ (ν, Q²) and Δσ⊥ (ν,Q²) measured for the 3^→He(^→e, e')X reaction, in the E97-110 experiment at Jefferson Lab. Polarized electrons with energies from 1.147 to 4.404GeV were scattered at angles of 6^◦and 9^◦ from a longitudinally or transversely polarized ³He target. The data cover the kinematic regions of the quasi-elastic, …

Beam-Target Helicity Asymmetry E In K⁺Σ⁻ Photoproduction On The Neutron, N. Zachariou, K. P. Adhikari, M. Khachatryan, M. Mayer, Y. Prok, Et Al., Clas Collaboration

Physics Faculty Publications

We report a measurement of a beam-target double-polarisation observable (E) for the 𝛾^→ n^→(p) → K⁺Σ^-(p) reaction. The data were obtained impinging the circularly-polarised energy-tagged photon beam of Hall B at Jefferson Lab on a longitudinally-polarised frozen-spin hydrogen deuteride (HD) nuclear target. The E observable for an effective neutron target was determined for centre-of-mass energies 1.70 ≤ W ≤ 2.30 GeV, with reaction products detected over a wide angular acceptance by the CLAS spectrometer. These new double-polarisation data give unique constraints on the strange decays of excited neutron states. Inclusion of the new …

Neutron Valence Structure From Nuclear Deep Inelastic Scattering, E. P. Segarra, A. Schmidt, T. Kutz, D. W. Higinbotham, E. Piasetzky, M. Strikman, L. B. Weinstein, O. Hen

Physics Faculty Publications

Mechanisms of spin-flavor SU(6) symmetry breaking in quantum chromodynamics (QCD) are studied via an extraction of the free neutron structure function from a global analysis of deep inelastic scattering (DIS) data on the proton and on nuclei from A = 2 (deuterium) to 208 (lead). Modification of the structure function of nucleons bound in atomic nuclei (known as the EMC effect) are consistently accounted for within the framework of a universal modification of nucleons in short-range correlated (SRC) pairs. Our extracted neutron-to-proton structure function ratio Fⁿ₂/F^p₂ becomes constant for x_B ≥ 0.6, equaling 0.47 …

Gluon Pseudo-Distributions At Short Distances: Forward Case, Ian Balitsky, Wayne Morris, Anatoly Radyushkin

Physics Faculty Publications

We present the results that are necessary in the ongoing lattice calculations of the gluon parton distribution functions (PDFs) within the pseudo-PDF approach. We give a classification of possible two-gluon correlator functions and identify those that contain the invariant amplitude determining the gluon PDF in the light-cone z² → 0 limit. One-loop calculations have been performed in the coordinate representation and in an explicitly gauge-invariant form. We made an effort to separate ultraviolet (UV) and infrared (IR) sources of the ln⁡(−z²)-dependence at short distances z². The UV terms cancel in the reduced Ioffe-time distribution (ITD), …

Klf Analysis Report: Meson Spectroscopy Simulation Studies, Shankar Adhikari, Moskov Amaryan

Physics Faculty Publications

This analysis report is written as a supplemental for the strange meson spectroscopy part of the KLF proposal submitted to the JLab PAC48.

Developing A High Resolution Zdc For The Eic, J. H. Lee, T. Sako, K. Tanida, M. Murray, Q. Wang, N. Nickel, Y. Yamazaki, Y. Itow, H. Menjo, T. Shibata, C. E. Hyde, V. Baturin, Y. Goto, I. Nakagawa, R. Seidl, K. Kawade, A. Deshpande, B. Schmookler, K. Nakano, T. Chujo, Y. Miyachi

Physics Faculty Publications

The Electron Ion Collider offers the opportunity to make un-paralleled multidimen- sional measurements of the spin structure of the proton and nuclei, as well as a study of the onset of partonic saturation at small Bjorken-x [1]. An important requirement of the physics program is the tagging of spectator neutrons and the identification of forward photons. We propose to design and build a Zero Degree Calorimeter, or ZDC, to measure photons and neutrons with excellent energy & position resolution.

Thermal Emittance And Lifetime Of Alkali-Antimonide Photocathodes Grown On Gaas And Molybdenum Substrates Evaluated In A -300 Kv Dc Photogun, Y. Wang, M. A. Mamun, P. Adderley, B. Bullard, J. Grames, J. Hansknecht, C. Hernandez-Garcia, G. A. Krafft, G. Palacios-Serrano, M. Poelker, M. L. Stutzman, R. Suleiman, M. Tiefenback, S. Wijethunga, J. Yoskowitz, S. Zhang

Physics Faculty Publications

Cs_xK_ySb photocathodes grown on GaAs and molybdenum substrates were evaluated using a –300 kV dc high voltage photogun and diagnostic beam line. Photocathodes grown on GaAs substrates, with varying antimony layer thickness (estimated range from < 20 nm to > 1 um), yielded similar thermal emittance per rms laser spot size values (~0.4 mm mrad / mm) but very different operating lifetime. Similar thermal emittance was obtained for a photocathode grown on a molybdenum substrate but with markedly improved lifetime. For this photocathode, no decay in quantum efficiency was measured at 4.5 mA average current and with peak current 0.55 A …

Probing The Deuteron At Very Large Internal Momenta, C. Yero, D. Abrams, Z Ahmed, F. Hauenstein, S.A. Wood, J. Zhang, Et Al., Hall C. Collaboration

Physics Faculty Publications

We measure ²H(e,e′p)n cross sections at 4-momentum transfers of Q² = 4.5 ± 0.5   (GeV/c)² over a range of neutron recoil momenta pr, reaching up to ∼1.0  GeV/c. We obtain data at fixed neutron recoil angles θ_nq = 35°, 45°, and 75° with respect to the 3-momentum transfer ^→q. The new data agree well with previous data, which reached p_r ∼ 500  MeV/c. At θ_nq = 35° and 45°, final state interactions, meson exchange currents, and isobar currents are suppressed and the plane wave impulse approximation provides the dominant cross section contribution. …

Double Inclusive Small-X Gluon Production And Their Azimuthal Correlations In A Biased Ensemble, Gary Kapilevich

Publications and Research

We consider double gg → g production in the presence of a bias on the unintegrated gluon distribution of the colliding hadrons or nuclei. Such bias could be due to the selection of configurations with a greater number of gluons or higher mean transverse momentum squared or, more generally, due to a modified spectral shape of the gluon distribution in the hadrons. Hence, we consider reweighted functional averages over the stochastic ensemble of small-x gluons. We evaluate explicitly the double inclusive gluon transverse momentum spectrum in high-energy collisions, and their azimuthal correlations, for a few simple examples of biases.