1) Molecular state. Probability density. Complex numbers and BRA and KET.
2) Operators, Propagator, expectation values and commutator.
3) Commutators and Uncertainty. Time-independent Schrödinger equation and time-dependence of its state function.
4) Molecular Hamiltonian and Separation of Variables.
5) The Born-Oppenheimer formalism and Approximation.
6) Vector and Matrix representation. Validity conditions for the BO approximation. Perturbative corrections.
7) The chemical interpretation of the molecular Hamiltonian. Born-Huang state function for time propagation.
8) Spin eigenfunctions. Triplet states. The vibrational Hamiltonian in the harmonic approximation.
9) Anharmonic vibrations, density of vibrational states. Electronic wave functions based on spin-orbitals.
10) Bond breaking in different electronic states.
11) Electronically Excited States, Molecular Orbitals and Photochemistry.
12) The H2 molecule I-II, the Norrish type I reaction, solvent effects on absorption and emission.
13) H2 bond part III and summary of previous lectures part I.
14) Hydrogen molecule IV and time dependent perturbation of a stationary Hamiltonian
15) The H2 configuration interaction problem. Introduction to femtochemistry.
16) Dynamics of the vibrational wave packet.
17) Non-crossing-rule, Avoided crossing and Landau-Zener.
18) Conical Intersections.
19) Branching plane and Barry phase.
20) Summary of previous lectures part II.
21) Practical: How to work with Computers (the Linux environment)
22) Practical: Search and Optimization of a Conical Intersection and Analysis