Dynamics and spectroscopy of strongly coupled electrons and nuclei
By: Jonathan Holmes Fetherolf
Publisher: [publisher not identified]
Published: 2021
Place of publication: [New York, N.Y.?]
Language: eng
Description: This thesis describes work on several research topics in which transport and spectroscopy are influenced by strong electron-nuclear or nuclear-nuclear interactions. First, I give a broad overview of the motivations and background for the main topics covered in this thesis. In the next section, I explore the applicability of perturbative quantum master equations to linear absorption and nonlinear two-dimensional and pump-probe spectroscopies. Next, I introduce a theory of charge transport in organic semiconductors that unifies two popular pictures: incoherent polaron hopping and transient localization due to dynamic disorder. In the next section, I investigate the impact of phonon anharmonicity on the charge transport dynamics of soft semiconductors. Finally, I present a new method of efficiently calculating anharmonic vibrational spectra from ab initio molecular potential energy surfaces.
Notes: Department: Chemical Physics.

Thesis advisor: Timothy C. Berkelbach.

Thesis (Ph.D.)--Columbia University, 2021.