量子化学Ⅲ

Course syllabus: 1. Time-dependent phenomena in chemistry 1.1. Time dependent perturbation theory 1.2. Transition probability 1.3. Fermi’s golden rule 1.4. Transition probability for optical transitions 1.5. Electric and magnetic fields 1.6. Vector potential 1.7. Electromagnetic fields and 1D harmonic oscillators 1.8. Quantization of electromagnetic fields 1.9. Creation and annihilation operators 1.10. Black body radiation 1.11. Interaction between an electron and light 1.12. Dipole approximation 1.13. Oscillator strength 1.14. Determination of the oscillator strength and the transition dipole moment from spectra 2. Molecular Symmetry and Group Theory 2.1. Molecular Symmetry 2.2. Group theory and the set of symmetry operations of an object 2.3. Group multiplication tables and character tables 2.4. Matrix representations for symmetry operations 2.5. Reducible and irreducible representations 2.6. Great orthogonality theorem 2.7. Characters 2.8. Little orthogonality theorem 2.9. Characters of reducible and irreducible representations 2.10. Symmetry of vibrational modes 2.11. Construction of symmetry-adapted functions 2.12. Symmetry of molecular orbitals 2.13. Raman scattering 2.14. Symmetry and UV photoabsorption spectra

Lectures and problem solving

Scores of final examination at the end of the term

Handouts will be distributed at each class.

P. Atkins and R. Friedman, “Molecular Quantum Mechanics,” (Oxford University Press).

None.