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Full-Text Articles in Quantum Physics

Calabi-Yau Products: Graded Quivers For General Toric Calabi-Yaus, Sebastián Franco, Azeem Hasan Jan 2021

Calabi-Yau Products: Graded Quivers For General Toric Calabi-Yaus, Sebastián Franco, Azeem Hasan

Publications and Research

The open string sector of the topological B-model on CY (m + 2)-folds is described by m-graded quivers with superpotentials. This correspondence generalizes the connection between CY (m + 2)-folds and gauge theories on the worldvolume of D(5 − 2m)-branes for m = 0, . . . , 3 to arbitrary m. In this paper we introduce the Calabi-Yau product, a new algorithm that starting from the known quiver theories for a pair of toric CYm+2 and CYn+2 produces the quiver theory for a related CYm+n+3 …


Breakdown Of Universal Scaling For Nanometer-Sized Bubbles In Graphene, Renan Villarreal, Pin-Cheng Lin, Fahim Faraji, Nasim Hassani, Harsh Bana, Zviadi Zarkua, Maya N. Nair, Hung-Chieh Tsai, Manuel Auge, Felix Junge, Hans C. Hofsaess, Stefan De Gendt, Steven De Feyter, Steven Brems, E. Harriet Åhlgren, Erik C. Neyts, Lucian Covaci, FrançOis M. Peeters, Mehdi Neek-Amal, Lino M. C. Pereira Jan 2021

Breakdown Of Universal Scaling For Nanometer-Sized Bubbles In Graphene, Renan Villarreal, Pin-Cheng Lin, Fahim Faraji, Nasim Hassani, Harsh Bana, Zviadi Zarkua, Maya N. Nair, Hung-Chieh Tsai, Manuel Auge, Felix Junge, Hans C. Hofsaess, Stefan De Gendt, Steven De Feyter, Steven Brems, E. Harriet Åhlgren, Erik C. Neyts, Lucian Covaci, FrançOis M. Peeters, Mehdi Neek-Amal, Lino M. C. Pereira

Advanced Science Research Center

We report the formation of nanobubbles on graphene with a radius of the order of 1 nm, using ultralow energy implantation of noble gas ions (He, Ne, Ar) into graphene grown on a Pt(111) surface. We show that the universal scaling of the aspect ratio, which has previously been established for larger bubbles, breaks down when the bubble radius approaches 1 nm, resulting in much larger aspect ratios. Moreover, we observe that the bubble stability and aspect ratio depend on the substrate onto which the graphene is grown (bubbles are stable for Pt but not for Cu) and trapped element. …


Role Of Boundary Conditions In Quantum Computations Of Scattering Observables, Raúl A. Briceño, Juan V. Guerrero, Maxwell T. Hansen, Alexandru M. Sturzu Jan 2021

Role Of Boundary Conditions In Quantum Computations Of Scattering Observables, Raúl A. Briceño, Juan V. Guerrero, Maxwell T. Hansen, Alexandru M. Sturzu

Physics Faculty Publications

Quantum computing may offer the opportunity to simulate strongly interacting field theories, such as quantum chromodynamics, with physical time evolution. This would give access to Minkowski-signature correlators, in contrast to the Euclidean calculations routinely performed at present. However, as with present-day calculations, quantum computation strategies still require the restriction to a finite system size, including a finite, usually periodic, spatial volume. In this work, we investigate the consequences of this in the extraction of hadronic and Compton-like scattering amplitudes. Using the framework presented in Briceno et al. [Phys. Rev. D 101, 014509 (2020)], we estimate the volume effects for various …


P-Wave Nucleon-Pion Scattering Amplitude In The Δ(1232) Channel From Lattice Qcd, Giorgio Silvi, Srijit Paul, Constantia Alexandrou, Stefan Krieg, Luka Leskovec, Stefan Meinel, John Negele, Marcus Petschlies, Andrew Pochinsky, Gumaro Rendon, Sergey Syritsyn, Antonio Todaro Jan 2021

P-Wave Nucleon-Pion Scattering Amplitude In The Δ(1232) Channel From Lattice Qcd, Giorgio Silvi, Srijit Paul, Constantia Alexandrou, Stefan Krieg, Luka Leskovec, Stefan Meinel, John Negele, Marcus Petschlies, Andrew Pochinsky, Gumaro Rendon, Sergey Syritsyn, Antonio Todaro

Physics Faculty Publications

We determine the Δ(1232) resonance parameters using lattice QCD and the Lüscher method. The resonance occurs in elastic pion-nucleon scattering with JP = 3/2+ in the isospin I=3/2, P-wave channel. Our calculation is performed with Nf = 2+1 flavors of clover fermions on a lattice with L ≈ 2.8 fm. The pion and nucleon masses are mπ = 255.4 (1.6) MeV and mN = 1073(5) MeV, respectively, and the strong decay channel Δ → πN is found to be above the threshold. To thoroughly map out the energy dependence of the nucleon-pion …


Reflection And Transmission Of Electromagnetic Pulses At A Planar Dielectric Interface: Theory And Quantum Lattice Simulations, Abhay K. Ram, George Vahala, Linda Vahala, Min Soe Jan 2021

Reflection And Transmission Of Electromagnetic Pulses At A Planar Dielectric Interface: Theory And Quantum Lattice Simulations, Abhay K. Ram, George Vahala, Linda Vahala, Min Soe

Electrical & Computer Engineering Faculty Publications

There is considerable interest in the application of quantum information science to advance computations in plasma physics. A particular point of curiosity is whether it is possible to take advantage of quantum computers to speed up numerical simulations relative to conventional computers. Many of the topics in fusion plasma physics are classical in nature. In order to implement them on quantum computers, it will require couching a classical problem in the language of quantum mechanics. Electromagnetic waves are routinely used in fusion experiments to heat a plasma or to generate currents in the plasma. The propagation of electromagnetic waves is …


Topics In Quantum Quench And Entanglement, Sinong Liu Jan 2021

Topics In Quantum Quench And Entanglement, Sinong Liu

Theses and Dissertations--Physics and Astronomy

The dissertation includes two parts.

In Part I, we study non-equilibrium phenomena in various models associated with global quantum quench. It is known that local quantities, when subjected to global quantum quench across or approaching critical points, exhibit a variety of universal scaling behaviors at various quench rates. To investigate if similar scaling holds for non-local quantities, we consider the scaling behavior of circuit complexity under quantum quench across the critical massless point in Majorana fermion field theory of the one-dimensional integrable transverse field Ising model and find it obeys such scaling. To investigate if similar scaling holds for non-relativistic …


Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss Jan 2021

Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss

Theses and Dissertations

Warm dense plasma is the matter that exists, roughly, in the range of 10,000 to 10,000,000 Kelvin and has solid-like densities, typically between 0.1 and 10 grams per centimeter. Warm dense fluids like hydrogen, helium, and carbon are believed to make up the interiors of many planets, white dwarfs, and other stars in our universe. The existence of warm dense matter (WDM) on Earth, however, is very rare, as it can only be created with high-energy sources like a nuclear explosion. In such an event, theoretical and computational models that accurately predict the response of certain materials are thus very …


Ligand Effects On Electronic, Magnetic, And Catalytic Properties Of Clusters And Cluster Assemblies, Dinesh Bista 9288522 Jan 2021

Ligand Effects On Electronic, Magnetic, And Catalytic Properties Of Clusters And Cluster Assemblies, Dinesh Bista 9288522

Theses and Dissertations

Ligands commonly protect metallic clusters against reacting with outside reactants. However, ligands can also be used to control the redox properties enabling the formation of super donors/acceptors that can donate/accept multiple electrons. This thesis focuses on how the ligands can be used to control the electronic and magnetic features of clusters and ligand stabilized cluster-based assemblies, leading to nano pn junctions with directed transport, the possibility of light-harvesting, and catalysts for cross-coupling reactions. The thesis addresses three distinct classes of clusters and their applications. The first class of cluster “metal chalcogen clusters” is the central idea of the thesis focused …


Quantum Simulation Of The Schrodinger Equation Using Ibm's Quantum Computers, Mohamed Abouelela Dec 2020

Quantum Simulation Of The Schrodinger Equation Using Ibm's Quantum Computers, Mohamed Abouelela

Capstone and Graduation Projects

This thesis explores the capabilities of a quantum computer to simulate quantum systems. We give an introduction to the basics of quantum computing with the Bernstein-Vazirani algorithm as a demonstration. Four quantum systems are then simulated using IBM's QASM simulator using 6 qubits: the free particle, eigenstate of an infinite-well, particle in a step potential, and quantum tunneling. Because of the high number of gates, a 6-qubit simulation will not be feasible on current quantum computers. The number of qubits was, thus, reduced to 4 qubits, and was simulated on IBM's 5 qubit quantum computers (ibmq 5 vigo). We conclude …


What Is Nonlocal In Counterfactual Quantum Communication?, Yakir Aharonov, Daniel Rohrlich Dec 2020

What Is Nonlocal In Counterfactual Quantum Communication?, Yakir Aharonov, Daniel Rohrlich

Mathematics, Physics, and Computer Science Faculty Articles and Research

We revisit the “counterfactual quantum communication” of Salih et al. [1], who claim that an observer “Bob” can send one bit of information to a second observer “Alice” without any physical particle traveling between them. We show that a locally conserved, massless current—specifically, a current of modular angular momentum, Lz mod 2ℏ—carries the one bit of information. We integrate the flux of Lz mod 2ℏ from Bob to Alice and show that it equals one of the two eigenvalues of Lz mod 2ℏ, either 0 or ℏ, thus precisely accounting for the one bit of information he sends her.We previously …


Feedback Induced Magnetic Phases In Binary Bose-Einstein Condensates, Hilary M. Hurst, Shangjie Guo, I. B. Spielman Dec 2020

Feedback Induced Magnetic Phases In Binary Bose-Einstein Condensates, Hilary M. Hurst, Shangjie Guo, I. B. Spielman

Faculty Research, Scholarly, and Creative Activity

Weak measurement in tandem with real-time feedback control is a new route toward engineering novel non-equilibrium quantum matter. Here we develop a theoretical toolbox for quantum feedback control of multicomponent Bose-Einstein condensates (BECs) using backaction-limited weak measurements in conjunction with spatially resolved feedback. Feedback in the form of a single-particle potential can introduce effective interactions that enter into the stochastic equation governing system dynamics. The effective interactions are tunable and can be made analogous to Feshbach resonances -- spin-independent and spin-dependent -- but without changing atomic scattering parameters. Feedback cooling prevents runaway heating due to measurement backaction and we present …


Optical Properties Of Ultrathin In(Ga)As/Gaas And In(Ga)N/Gan Quantum Wells, Yurii Maidaniuk Dec 2020

Optical Properties Of Ultrathin In(Ga)As/Gaas And In(Ga)N/Gan Quantum Wells, Yurii Maidaniuk

Graduate Theses and Dissertations

Recently, structures based on ultrathin quantum wells (QWs) began to play a critical role in modern devices, such as lasers, solar cells, infrared photodetectors, and light-emitting diodes. However, due to the lack of understanding of the formation mechanism of ultrathin QWs during the capping process, scientists and engineers cannot fully explore the potential of such structures. This study aims to investigate how structural parameters of ultrathin QWs affect their emission properties by conducting a systematic analysis of the optical properties of In(Ga)As/GaAs and In(Ga)N/GaN ultrathin QWs. Specifically, the analysis involved photoluminescence measurements combined with effective bandgap simulation, x-ray diffraction, and …


Exploring Information For Quantum Machine Learning Models, Michael Telahun Dec 2020

Exploring Information For Quantum Machine Learning Models, Michael Telahun

Electronic Theses and Dissertations

Quantum computing performs calculations by using physical phenomena and quantum mechanics principles to solve problems. This form of computation theoretically has been shown to provide speed ups to some problems of modern-day processing. With much anticipation the utilization of quantum phenomena in the field of Machine Learning has become apparent. The work here develops models from two software frameworks: TensorFlow Quantum (TFQ) and PennyLane for machine learning purposes. Both developed models utilize an information encoding technique amplitude encoding for preparation of states in a quantum learning model. This thesis explores both the capacity for amplitude encoding to provide enriched state …


Kinetic Monte Carlo Investigations Involving Atomic Layer Deposition Of Metal-Oxide Thinfilms, David Tyler Magness Dec 2020

Kinetic Monte Carlo Investigations Involving Atomic Layer Deposition Of Metal-Oxide Thinfilms, David Tyler Magness

Graduate Theses/Dissertations

Atomic Layer Deposition is a method of manufacturing thin film materials. Metal-oxides such as zinc-oxide and aluminum-oxide are particularly interesting candidates for use in microelectronic devices such as tunnel junction barriers, transistors, Schottky diodes, and more. By adopting a 3D Kinetic Monte Carlo model capable of simulating ZnO deposition, the effect of parameters including deposition temperature, chamber pressure, and composition of the initial substrate at the beginning of deposition can be investigated. This code generates two random numbers: One is used to select a chemical reaction to occur from a list of all possible reactions and the second is used …


Nuclear-Targeted Gold Nanoparticles Enhance The Effects Of Radiation Therapy With And Without Liposomal Delivery, Maureen Aliru Dec 2020

Nuclear-Targeted Gold Nanoparticles Enhance The Effects Of Radiation Therapy With And Without Liposomal Delivery, Maureen Aliru

Dissertations and Theses (Open Access)

Less that 10% of pancreatic cancer patients are eligible for curative resection, and clinical trials evaluating chemoradiation in locally advanced patients with unresectable disease have been largely disappointing. New and creative therapeutic approaches are needed to address the unment need for treatment options. The objective of this thesis is to advance radiosensitization of treatment-resistant densely desmoplastic pancreatic cancer using nanoparticles to surmount biological barriers to effective particle distribution for DNA-targeting.

Clinical translation of radiosensitizing nanoparticles has stalled owing to technical challenges. Current strategies to use AuNPs for radiosensitization require large quantities of gold, kilovoltage x-rays, immediate irradiation after intravenous administration, …


An Update On The Computational Theory Of Hamiltonian Period Functions, Bradley Joseph Klee Dec 2020

An Update On The Computational Theory Of Hamiltonian Period Functions, Bradley Joseph Klee

Graduate Theses and Dissertations

Lately, state-of-the-art calculation in both physics and mathematics has expanded to include the field of symbolic computing. The technical content of this dissertation centers on a few Creative Telescoping algorithms of our own design (Mathematica implementations are given as a supplement). These algorithms automate analysis of integral period functions at a level of difficulty and detail far beyond what is possible using only pencil and paper (unless, perhaps, you happen to have savant-level mental acuity). We can then optimize analysis in classical physics by using the algorithms to calculate Hamiltonian period functions as solutions to ordinary differential equations. The simple …


Radial Basis Densities And The Density Functional-Based Atom-In-Molecule: Designing Charge-Transfer Potentials, Godwin Amo-Kwao Nov 2020

Radial Basis Densities And The Density Functional-Based Atom-In-Molecule: Designing Charge-Transfer Potentials, Godwin Amo-Kwao

Nanoscience and Microsystems ETDs

Classical potentials that are capable of describing charge transfer and charge polarization in complex systems are of central importance for classical atomistic simulation of biomolecules and materials. Current potentials—regardless of the system—do not generalize well, and, with the exception of highly-specialized empirical potentials tuned for specific systems, cannot describe chemical bond formation and breaking. The charge-transfer embedded atom method (CT-EAM), a formal, DFT-based extension to the original EAM for metals, has been developed to address these issues by modeling charge distortion and charge transfer in interacting systems using pseudoatom building blocks instead of the electron densities of isolated atoms. CT-EAM …


Always-On Quantum Error Tracking With Continuous Parity Measurements, Razieh Mohseninia, Jing Yang, Irfan Siddiqi, Andrew N. Jordan, Justin Dressel Nov 2020

Always-On Quantum Error Tracking With Continuous Parity Measurements, Razieh Mohseninia, Jing Yang, Irfan Siddiqi, Andrew N. Jordan, Justin Dressel

Mathematics, Physics, and Computer Science Faculty Articles and Research

We investigate quantum error correction using continuous parity measurements to correct bit-flip errors with the three-qubit code. Continuous monitoring of errors brings the benefit of a continuous stream of information, which facilitates passive error tracking in real time. It reduces overhead from the standard gate-based approach that periodically entangles and measures additional ancilla qubits. However, the noisy analog signals from continuous parity measurements mandate more complicated signal processing to interpret syndromes accurately. We analyze the performance of several practical filtering methods for continuous error correction and demonstrate that they are viable alternatives to the standard ancilla-based approach. As an optimal …


The Gauge Principle From The Schrodinger-Born Wave Mechanics, P. T. Leung Nov 2020

The Gauge Principle From The Schrodinger-Born Wave Mechanics, P. T. Leung

Physics Faculty Publications and Presentations

We propose an elementary way of introducing the gauge principle to beginners with a background in only mechanics, electromagnetism, and quantum mechanics. This evolves from an apparent conflict in the Schrodinger-Born formulation of wave mechanics, and does not have to resort to advanced concepts like covariant derivative and minimal coupling. With such an approach, one would have appreciated how interactions can be dictated from consideration of internal symmetry of a physical system, which serves as a principle underlying the foundation of almost all modern physics. In addition, the gauge principle also serves as a resource providing consistency between the Born …


Schrödinger-Pauli Theory Of Electrons: New Perspectives, Viraht Sahni Oct 2020

Schrödinger-Pauli Theory Of Electrons: New Perspectives, Viraht Sahni

Publications and Research

The Schrödinger-Pauli (SP) theory of electrons in an electromagnetic field explicitly accounts for the electron spin moment. The many-electron theory is complemented via a new descriptive perspective viz. that of the individual electron via its equation of motion or ‘Quantal Newtonian’ first law. The law is in terms of ‘classical’ fields whose sources are quantum mechanical expectation values of Hermitian operators taken with respect to the system wave function. The law states that each electron experiences an external and an internal field, the sum of which vanish. The external field is the sum of the binding electrostatic and a Lorentz …


The Operational Choi-Jamio Lkowski Isomorphism, Emily Adlam Sep 2020

The Operational Choi-Jamio Lkowski Isomorphism, Emily Adlam

Mathematics, Physics, and Computer Science Faculty Articles and Research

In this article, I use an operational formulation of the Choi–Jamiołkowski isomorphism to explore an approach to quantum mechanics in which the state is not the fundamental object. I first situate this project in the context of generalized probabilistic theories and argue that this framework may be understood as a means of drawing conclusions about the intratheoretic causal structure of quantum mechanics which are independent of any specific ontological picture. I then give an operational formulation of the Choi–Jamiołkowski isomorphism and show that, in an operational theory which exhibits this isomorphism, several features of the theory which are usually regarded …


Emulating Condensed Matter Systems In Classical Wave Metamaterials, Matthew Weiner Sep 2020

Emulating Condensed Matter Systems In Classical Wave Metamaterials, Matthew Weiner

Dissertations, Theses, and Capstone Projects

One of the best tools we have for the edification of physics is the analogy. When we take our classical set of states and dynamical variables in phase space and treat them as vectors and Hermitian operators respectively in Hilbert space through the canonical quantization, we lose out on a lot of the intuition developed with the previous classical physics. With classical physics, through our own experiences and understanding of how systems should behave, we create easy-to-understand analogies: we compare the Bohr model of the atom to the motion of the planets, we compare electrical circuits to the flow of …


Machine Learning Corrected Quantum Dynamics Calculations, A. Jasinski, J. Montaner, R. C. Forrey, B. H. Yang, P. C. Stancil, Naduvalath Balakrishnan, J. Dai, A. Vargas-Hernandez, R. V. Krems Aug 2020

Machine Learning Corrected Quantum Dynamics Calculations, A. Jasinski, J. Montaner, R. C. Forrey, B. H. Yang, P. C. Stancil, Naduvalath Balakrishnan, J. Dai, A. Vargas-Hernandez, R. V. Krems

Chemistry and Biochemistry Faculty Research

Quantum scattering calculations for all but low-dimensional systems at low energies must rely on approximations. All approximations introduce errors. The impact of these errors is often difficult to assess because they depend on the Hamiltonian parameters and the particular observable under study. Here, we illustrate a general, system- and approximation-independent, approach to improve the accuracy of quantum dynamics approximations. The method is based on a Bayesian machine learning (BML) algorithm that is trained by a small number of exact results and a large number of approximate calculations, resulting in ML models that can generalize exact quantum results to different dynamical …


H-Atom Ladder Operator Revisited, Carl W. David Aug 2020

H-Atom Ladder Operator Revisited, Carl W. David

Chemistry Education Materials

An error laden note (Am. J. Phys., 34, 984,(1966)) concerning the ladder operator solution to the hydrogen atom electronic energy levels is corrected.


Qwasi: The Quantum Walk Simulator, Warren V. Wilson Aug 2020

Qwasi: The Quantum Walk Simulator, Warren V. Wilson

Theses and Dissertations

As quantum computing continues to evolve, the ability to design and analyze novel quantum algorithms becomes a necessary focus for research. In many instances, the virtues of quantum algorithms only become evident when compared to their classical counterparts, so a study of the former often begins with a consideration of the latter. This is very much the case with quantum walk algorithms, as the success of random walks and their many, varied applications have inspired much interest in quantum correlates. Unfortunately, finding purely algebraic solutions for quantum walks is an elusive endeavor. At best, and when solvable, they require simple …


A Twist On Broken U(3) × U(3) Supersymmetry, Scott Chapman Aug 2020

A Twist On Broken U(3) × U(3) Supersymmetry, Scott Chapman

Mathematics, Physics, and Computer Science Faculty Articles and Research

What symmetry breaking would be required for gauginos from a supersymmetric theory to behave like left-handed quarks of the Standard Model? Starting with a supersymmetric SU(3)xSU(3)xU(1)xU(1) gauge theory, the 18 adjoint-representation gauginos are replaced with 2 families of 9 gauginos in the (3,3*) representation of the group. After this explicit breaking of supersymmetry, two-loop quadratic divergences still cancel at a unification scale. Coupling constant unification is supported by deriving the theory from an SU(3)xSU(3)xSU(3)xSU(3) Grand Unified Theory (GUT). Sin2 of the Weinberg angle for the GUT is 1/4 rather than 3/8, leading to a lower unification scale than usually …


Contact In The Unitary Fermi Gas Across The Superfluid Phase Transition, S. Jensen, Christopher N. Gilbreth, Y. Alhassid Jul 2020

Contact In The Unitary Fermi Gas Across The Superfluid Phase Transition, S. Jensen, Christopher N. Gilbreth, Y. Alhassid

All Faculty Scholarship for the College of the Sciences

A quantity known as the contact is a fundamental thermodynamic property of quantum many-body systems with short-range interactions. Determination of the temperature dependence of the contact for the unitary Fermi gas of infinite scattering length has been a major challenge, with different calculations yielding qualitatively different results. Here we use finite-temperature auxiliary-field quantum Monte Carlo (AFMC) methods on the lattice within the canonical ensemble to calculate the temperature dependence of the contact for the homogeneous spin-balanced unitary Fermi gas. We extrapolate to the continuum limit for 40, 66, and 114 particles, eliminating systematic errors due to finite-range effects. We observe …


Quantum Two-Photon Laser In Kerr-Like Medium, Ahmed Mathkoor Faisal Hamood Jul 2020

Quantum Two-Photon Laser In Kerr-Like Medium, Ahmed Mathkoor Faisal Hamood

Student Works (2020-2029)

In this thesis, we studied the Kerr nonlinearity effects on nonclassicality and statistics of the laser field besides the effects of detuning, injection rate, and intensity-dependent coupling (IDC). We developed a quantum theory of light generated from a two-photon laser (TPL) with nonlinear Kerr-like medium in a laser dissipative cavity. The full quantum mechanical approach with the density matrix of the particle-field system is used to derive the TPL master equation based on Scully-Lamb’s quantum theory of laser. Various dynamical operators of interest for the cavity field are calculated analytically and computed numerically. The sophisticated computational program was developed to …


Noncontextuality Inequalities From Antidistinguishability, Matthew S. Leifer, Cristhiano Duarte Jun 2020

Noncontextuality Inequalities From Antidistinguishability, Matthew S. Leifer, Cristhiano Duarte

Mathematics, Physics, and Computer Science Faculty Articles and Research

Noncontextuality inequalities are usually derived from the distinguishability properties of quantum states, i.e., their orthogonality. Here, we show that antidistinguishability can also be used to derive noncontextuality inequalities. The Yu-Oh 13-ray noncontextuality inequality can be rederived and generalized as an instance of our antidistinguishability method. For some sets of states, the antidistinguishability method gives tighter bounds on noncontextual models than just considering orthogonality, and the Hadamard states provide an example of this. We also derive noncontextuality inequalities based on mutually unbiased bases and symmetric informationally complete positive operator-valued measures. Antidistinguishability based inequalities were initially discovered as overlap bounds for the …


Non-Adiabatic Quantum Dynamics Of The Ultracold Li+Lina→ Li2+Na Chemical Reaction, B. K. Kendrick, M. Li, H. Li, S. Kotochigova, J. F.E. Croft, Balakrishnan Naduvalath Jun 2020

Non-Adiabatic Quantum Dynamics Of The Ultracold Li+Lina→ Li2+Na Chemical Reaction, B. K. Kendrick, M. Li, H. Li, S. Kotochigova, J. F.E. Croft, Balakrishnan Naduvalath

Chemistry and Biochemistry Faculty Research

We report non-adiabatic dynamics of the Li+LiNa→Li2+Na chemical reaction at cold and ultracold temperatures employing accurate ab initio electronic potential energy surfaces in a quantum dynamics formulation employing a diabatic representation. Results are compared against those from a single adiabatic ground state potential energy surface and a universal model based on the long-range interaction potential. We discuss signatures of non-universal behavior in the total rate coefficients as well as strong non-adiabatic effects in the state-to-state rotationally resolved rate coefficients.