General Information

Lecture 1

Introduction / pdf

Lecture 2

Hydrogen Atom / pdf

Lecture 3

Treatment of Atoms / pdf

Lecture 4

Group Theory / pdf

Lecture 5

Basis Functions / pdf

Lecture 6

Character Tables / pdf

Lecture 7

Applied Group Theory / pdf

Lecture 8

Mathematical Evaluation of Wave Functions / pdf

Lecture 9

Diatomic Molecules / pdf

Lecture 10

Harmonic Oscillator / pdf

Lecture 11

Approximate Methods / pdf

Lecture 12

Variational Principle / pdf

Lecture 13

LCAO-MO Theory / pdf

Lecture 14

Semi-Empirical Theory / pdf

Lecture 15

Hartree Fock Theory / pdf

Lecture 16

Hartree-Fock Implementation / pdf

Lecture 17

Open Shell Hartree-Fock Theory / pdf

Lecture 18

Configuration Interaction / Post-Hartree Fock / pdf

Lecture 19

Coupled Cluster / Complete Active Space / pdf

Lecture 20

Ab initio Calculations based on HF Theory / pdf

Lecture 21

Density Functional Theory / pdf

Lecture 22

Hierarchy of Density Functionals / pdf

Lecture 23

Orbital Correlations and Properties / pdf

Lecture 24

Orbital Interactions / pdf

Lecture 25

Thermodynamic Quantum Chemistry / pdf

Lecture 26

Geometry Optimization / pdf

Lecture 27

Calculation of Molecular Properties / pdf

Lecture 28

Applications of DFT / pdf

Lecture 29

Calculation of Transition States / pdf

Lecture 30

Orbital Interactions and Chemical Reactivity / pdf

Lecture 31

Treatment Solvent Effects / pdf

Lecture 32

The Vibrational Start Effect / pdf