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Dynamics and Spectroscopy of Strongly Coupled Electrons and Nuclei

Jonathan Holmes Fetherolf

出版	Columbia University, 2021
URL	http://books.google.com.hk/books?id=2hqozgEACAAJ&hl=&source=gbs_api

註釋

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.