課程概述 |
Course Objective: This course is designed to provide students, both graduate and senior undergraduate, in-depth understanding of the concepts of quantum chemistry that are important to the discipline of materials science and engineering.
Textbooks:
1. I. N. Levine, “Quantum Chemistry”
2. P. Atkins, J. de Paula, “Physical Chemistry”
3. T. Engel, P. Reid, “Physical Chemistry”
4. D. A. McQuarrie, J. D. Simon, “Physical Chemistry: A Molecular Approach”
Course outline:
1. Basic quantum theory
— the quantum mechanical postulate
— the Schrodinger equation
— particle in a box
— harmonic oscillator
— rigid rotor
2. Atomic structure and spectra
— single-electron atoms
— multi-electron atoms — methods of approximation
variation
perturbation
3. Molecular structure
— diatomic molecules
— polyatomic molecules — approximation techniques and computational chemistry
4. Molecular symmetry
5. Photo-Physical Processes and Spectroscopy
— vibrational and rotational spectroscopy
— electronic spectroscopy
— NMR
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