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Description
Chapter 1 introduces some key elements of important topics such as; quantum mechanics,

representation theory of the Lorentz and Poincare groups, and a review of some basic rela- ´

tivistic wave equations that will play an important role in the work to follow. In Chapter 2,

a complex covariant form of the classical

Chapter 1 introduces some key elements of important topics such as; quantum mechanics,

representation theory of the Lorentz and Poincare groups, and a review of some basic rela- ´

tivistic wave equations that will play an important role in the work to follow. In Chapter 2,

a complex covariant form of the classical Maxwell’s equations in a moving medium or at

rest is introduced. In addition, a compact, Lorentz invariant, form of the energy-momentum

tensor is derived. In chapter 3, the concept of photon helicity is critically analyzed and its

connection with the Pauli-Lubanski vector from the viewpoint of the complex electromag- ´

netic field, E+ iH. To this end, a complex covariant form of Maxwell’s equations is used.

Chapter 4 analyzes basic relativistic wave equations for the classical fields, such as Dirac’s

equation, Weyl’s two-component equation for massless neutrinos and the Proca, Maxwell

and Fierz-Pauli equations, from the viewpoint of the Pauli-Lubanski vector and the Casimir ´

operators of the Poincare group. A connection between the spin of a particle/field and ´

consistency of the corresponding overdetermined system is emphasized in the massless

case. Chapter 5 focuses on the so-called generalized quantum harmonic oscillator, which

is a Schrodinger equation with a time-varying quadratic Hamiltonian operator. The time ¨

evolution of exact wave functions of the generalized harmonic oscillators is determined

in terms of the solutions of certain Ermakov and Riccati-type systems. In addition, it is

shown that the classical Arnold transform is naturally connected with Ehrenfest’s theorem

for generalized harmonic oscillators. In Chapter 6, as an example of the usefulness of the

methods introduced in Chapter 5 a model for the quantization of an electromagnetic field

in a variable media is analyzed. The concept of quantization of an electromagnetic field

in factorizable media is discussed via the Caldirola-Kanai Hamiltonian. A single mode

of radiation for this model is used to find time-dependent photon amplitudes in relation

to Fock states. A multi-parameter family of the squeezed states, photon statistics, and the

uncertainty relation, are explicitly given in terms of the Ermakov-type system.
ContributorsLanfear, Nathan A (Author) / Suslov, Sergei (Thesis advisor) / Kotschwar, Brett (Thesis advisor) / Platte, Rodrigo (Committee member) / Matyushov, Dmitry (Committee member) / Kuiper, Hendrik (Committee member) / Gardner, Carl (Committee member) / Arizona State University (Publisher)
Created2016
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Description
Na+/H+ antiporters are vital membrane proteins for cell homeostasis, transporting Na+ ions in exchange for H+ across the lipid bilayer. In humans, dysfunction of these transporters are implicated in hypertension, heart failure, epilepsy, and autism, making them well-established drug targets. Although experimental structures for bacterial homologs of the human Na+/H+

Na+/H+ antiporters are vital membrane proteins for cell homeostasis, transporting Na+ ions in exchange for H+ across the lipid bilayer. In humans, dysfunction of these transporters are implicated in hypertension, heart failure, epilepsy, and autism, making them well-established drug targets. Although experimental structures for bacterial homologs of the human Na+/H+ have been obtained, the detailed mechanism for ion transport is still not well-understood. The most well-studied of these transporters, Escherichia coli NhaA, known to transport 2 H+ for every Na+ extruded, was recently shown to bind H+ and Na+ at the same binding site, for which the two ion species compete. Using molecular dynamics simulations, the work presented in this dissertation shows that Na+ binding disrupts a previously-unidentified salt bridge between two conserved residues, suggesting that one of these residues, Lys300, may participate directly in transport of H+. This work also demonstrates that the conformational change required for ion translocation in a homolog of NhaA, Thermus thermophilus NapA, thought by some to involve only small helical movements at the ion binding site, is a large-scale, rigid-body movement of the core domain relative to the dimerization domain. This elevator-like transport mechanism translates a bound Na+ up to 10 Å across the membrane. These findings constitute a major shift in the prevailing thought on the mechanism of these transporters, and serve as an exciting launchpad for new developments toward understanding that mechanism in detail.
ContributorsDotson, David L (Author) / Beckstein, Oliver (Thesis advisor) / Ozkan, Sefika B (Committee member) / Ros, Robert (Committee member) / Van Horn, Wade (Committee member) / Arizona State University (Publisher)
Created2016
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Description
I describe the first continuous space nuclear path integral quantum Monte Carlo method, and calculate the ground state properties of light nuclei including Deuteron, Triton, Helium-3 and Helium-4, using both local chiral interaction up to next-to-next-to-leading-order and the Argonne $v_6'$ interaction. Compared with diffusion based quantum Monte Carlo methods such

I describe the first continuous space nuclear path integral quantum Monte Carlo method, and calculate the ground state properties of light nuclei including Deuteron, Triton, Helium-3 and Helium-4, using both local chiral interaction up to next-to-next-to-leading-order and the Argonne $v_6'$ interaction. Compared with diffusion based quantum Monte Carlo methods such as Green's function Monte Carlo and auxiliary field diffusion Monte Carlo, path integral quantum Monte Carlo has the advantage that it can directly calculate the expectation value of operators without tradeoff, whether they commute with the Hamiltonian or not. For operators that commute with the Hamiltonian, e.g., the Hamiltonian itself, the path integral quantum Monte Carlo light-nuclei results agree with Green's function Monte Carlo and auxiliary field diffusion Monte Carlo results. For other operator expectations which are important to understand nuclear measurements but do not commute with the Hamiltonian and therefore cannot be accurately calculated by diffusion based quantum Monte Carlo methods without tradeoff, the path integral quantum Monte Carlo method gives reliable results. I show root-mean-square radii, one-particle number density distributions, and Euclidean response functions for single-nucleon couplings. I also systematically describe all the sampling algorithms used in this work, the strategies to make the computation efficient, the error estimations, and the details of the implementation of the code to perform calculations. This work can serve as a benchmark test for future calculations of larger nuclei or finite temperature nuclear matter using path integral quantum Monte Carlo.
ContributorsChen, Rong (Author) / Schmidt, Kevin E (Thesis advisor) / Alarcon, Ricardo O (Committee member) / Beckstein, Oliver (Committee member) / Comfort, Joseph R. (Committee member) / Shovkovy, Igor A. (Committee member) / Arizona State University (Publisher)
Created2020