## Course Description

Chemistry 321 is not a prerequisite for this class.

Students will be required not only to have taken the calculus prerequisite, but also to have a working knowledge of it. If you have problems remembering the mathematics, review it now before it becomes too late. Read ahead. Ask questions.

We will spend time in class on each chapter working on problems in groups supplied by the instructor. Participation in groups of 2-3 students is required, and 1-2 of the problems will be assigned and turned in the next class period. They will account for 11% of the final grade. (5.5% for 422)

Chem 422 students will have a short paper (5-7 pgs) on an article published in a peer-reviewed journal. The topic should be something covered in class and must meet my approval. The paper is due on the last day of classes. The course material will closely follow the text, so it is to the students’ advantage to read the text. Students should read the appropriate material before lecture.

Note: exams will closely follow homework assignments, so it is to the students’ advantage to understand the material covered in homework sets.

## Lecture content

Topics | |
---|---|

Lecture 1 | Quantization of energy |

Lecture 2 | Wave-particle duality |

Lecture 3 | The Schrödinger equation |

Lecture 4 | Math for quantum chemistry |

Lecture 5 | The Born interpretation |

Lecture 6 | Hermitian operators |

Lecture 7 | The uncertainty principle |

Lecture 8 | The particle in a box |

Lecture 9 | The particle in a well |

Lecture 10 | The harmonic oscillator |

Lecture 11 | The particle on a ring |

Lecture 12 | The particle on a sphere |

Lecture 13 | Space quantization and spin |

Lecture 14 | Time-independent perturbation theory |

Lecture 15 | Time-dependent perturbation theory |

Lecture 16 | Tunneling |

Lecture 17 | Hydrogenic atoms |

Lecture 18 | Atomic spectra |

Lecture 19 | Helium and heavier atoms |

Lecture 20 | Spin multiplicities |

Lecture 21 | Spin-orbit coupling |

Lecture 22 | The Born-Oppenheimer principle |

Lecture 23 | VB theory |

Lecture 24 | MO theory I |

Lecture 25 | MO theory II |

Lecture 26 | Point-group symmetry I |

Lecture 27 | Point-group symmetry II |

Lecture 28 | Point-group symmetry III |

Lecture 29 | General theory of spectroscopies I |

Lecture 30 | General theory of spectroscopies II |

Lecture 31 | Rotational spectroscopy I |

Lecture 32 | Rotational spectroscopy II |

Lecture 33 | Vibrational spectroscopy |

Lecture 34 | Electronic spectroscopy |

Lecture 35 | Nuclear magnetic resonance |

## Required Text

- Atkins and de Paula,
*“Physical Chemsitry”, 9th ed*. ISBN-10: 9781429218122 ISBN-13: 978-1429218122 - Heine, Joswig, Gelessus,
*“Computational Chemistry Workbook: Learning through Examples”*. ISBN: 978-3-527-32442-2