Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 10 of 10 for “"Diatomic molecule"”.
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A quantum top in a Casimir-induced quadrupole field
… a quantum Hamiltonian. I apply the result to a diatomic molecule and find the changes in the spectroscopy induced by the Casimir effect. This can potentially provide an additional experimental probe into the Casimir effect.
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Time-Dependent Perturbation and the Born-Oppenheimer Approximation
We discuss the physical problem of a molecule interacting with an electromagnetic field pulse and model the problem using a time-dependent perturbation of the Born-Oppenheimer approximation to the Schrodinger equation. Using previous results that develop asymptotic series solutions in the …
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The Born-Oppenheimer approximation in scattering theory
… such that: (1) We show that if H(𝜖) describes a diatomic Molecule with smooth short range potentials, then the estimate (1) is uniform in time; hence the leading order approximation to the wave operators can be constructed. We also comment on the generalization of our method to polyatomic …
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Nitric Oxide Bioavailability Regulation by Hemoglobin
Nitric Oxide (NO) is a diatomic molecule with one unpaired electron which makes it highly reactive. Because of its small size it can diffuse rapidly through body tissues. These characteristics allow NO to function very well as local signal transductor. NO plays an important role in the dilation of …
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Homodyne High-harmonic Spectroscopy: Coherent Imaging of a Unimolecular Chemical Reaction
… detection of attosecond pulses from excited molecules undergoing dynamics is achieved, the signal from unexcited molecules acting as the reference local oscillator. First, applying time-resolved high-harmonic spectroscopy to the photodissociation of a diatomic molecule, Br2 to Br + Br, allows …
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Photoassociative Spectroscopy of Ultracold Metastable Argon and Study of Dual Species Trap Loss in a Rubidium-Metastable Argon MOT
… asymptote of the Ar<sub>2</sub>* diatomic molecule over a 10 GHz range red detuned of the atomic resonance. With a range of probe laser intensities from ∼ 10<sup>2</sup>–10<sup>5</sup><em>I<sub>Sat</sub></em>, 12 resonances have been observed. The spectra have been analyzed using …
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Insights into correlated electron systems from first-principles quantum Monte Carlo
… of effective model terms in describing an Fe-Se diatomic molecule. The study determined that Hund's coupling was the most important interaction in this system, and quantified its importance relative to other terms. I also developed a new strategy for efficiently discovering low-energy states in …
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Vibrational and anion photoelectron spectroscopy of transition metal clusters
… reports the first photoelectron spectra of this diatomic molecule. The spectroscopic assignments, carried out with the support of previous theoretical and experimental works, provide measurements of the adiabatic electron affinity (EAad) and of the vibrational frequencies of the anion and the …
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Dissociation dynamics of diatomic molecules in intense fields
We study the dynamics of diatomic molecules (dimers) in intense IR and XUV laser fields theoretically and compare the results with measured data in collaboration with different experimental groups worldwide. The first three chapters of the thesis cover the introduction and the background on solving …
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Theoretical and computational investigations of the electron and spin correlation in chemical bonds, building a predictive bonding model with generalized valence bond theory
… principles of chemical bonding in various molecules, chemists can make predictions about the structures, energetics, reactivities and other properties of chemical species. The understanding of bonding is also critical to achieving one of the ultimate goals of chemists—the design and control …