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Tunneling dynamics of symmetric top XY₃ molecules in uniform DC electric fields.

Wong Yuen-yee. / Thesis submitted in: August 2005. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2006. / Includes bibliographical references (leaves 121-125). / Abstracts in English and Chinese. / THESIS COMMITTEE --- p.ii / ABSTRACT --- p.iii / 摘要 --- p.iv / ACKNOWLEDGEMENTS --- p.v / TABLE OF CONTENT --- p.vi / LIST OF TABLES --- p.viii / LIST OF FIGURES --- p.xi / Chapter Chapter 1 --- Introduction --- p.1 / Chapter Chapter 2 --- Quantum Mechanical Background --- p.9 / Chapter 2.1 --- Molecular energy operator and the Born-Oppenheimer approximation --- p.9 / Chapter 2.2 --- Electronic wavefunctions --- p.16 / Chapter 2.3 --- Vibrational wavefunctions --- p.22 / Chapter 2.4 --- Rotational wave function --- p.28 / Chapter 2.5 --- Tunneling Phenomenon --- p.31 / Chapter Chapter 3 --- Implementation --- p.35 / Chapter 3.1 --- Inversion potential --- p.37 / Chapter 3.2 --- Zero-field vibrational wavefunctions --- p.39 / Chapter 3.3 --- Zero-field rovibrational levels --- p.43 / Chapter 3.4 --- Stark energy and rovibrational levels in DC fields --- p.49 / Chapter 3.5 --- Transition dipole moments and intensities calculations --- p.52 / Chapter Chapter 4 --- Results and Discussions --- p.57 / Chapter 4.1 --- "Inversion potentials, levels, and energies" --- p.57 / Chapter 4.2 --- Rovibrational levels and spectrum at zero-field --- p.70 / Chapter 4.3 --- Rovibrational spectrum in DC fields --- p.83 / Chapter 4.3.1 --- Localization of vibrational wavefunctions --- p.83 / Chapter 4.3.2 --- Rovibrational energies and spectra --- p.89 / Chapter 4.4 --- Discussion --- p.118 / REFERENCE --- p.121

Identiferoai:union.ndltd.org:cuhk.edu.hk/oai:cuhk-dr:cuhk_325551
Date January 2006
ContributorsWong, Yuen-yee., Chinese University of Hong Kong Graduate School. Division of Chemistry.
Source SetsThe Chinese University of Hong Kong
LanguageEnglish, Chinese
Detected LanguageEnglish
TypeText, bibliography
Formatprint, xiii, 125 leaves : ill. (some col.) ; 30 cm.
RightsUse of this resource is governed by the terms and conditions of the Creative Commons “Attribution-NonCommercial-NoDerivatives 4.0 International” License (http://creativecommons.org/licenses/by-nc-nd/4.0/)

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