## Course Description

Physical Chemistry II (Quantum Mechanics) (CHEM 422A) delves into the fundamental concepts of quantum mechanics, a pivotal area in physical chemistry. This course, independent of Chemistry 321, requires students to have a solid grasp of calculus and its applications in chemistry. To ensure comprehension and application, the course structure includes working on problems in groups, with a portion of these problems contributing to the final grade. Additionally, Chem 422 students are tasked with writing a short paper on a peer-reviewed journal article relevant to the course material.

The course content covers a wide array of quantum mechanics topics. Starting with the quantization of energy and wave-particle duality, it progresses to the Schrödinger equation and mathematical principles necessary for quantum chemistry. Key concepts such as the Born interpretation, Hermitian operators, and the uncertainty principle are thoroughly explored. The course also examines various quantum systems like particles in a box, well, on a ring, and on a sphere, along with discussions on space quantization, spin, and atomic spectra.

Advanced topics include time-independent and time-dependent perturbation theory, tunneling, the study of hydrogenic atoms, and the complexities of helium and heavier atoms. The course delves into spin multiplicities, spin-orbit coupling, the Born-Oppenheimer principle, and theories like Valence Bond (VB) and Molecular Orbital (MO) theory. Additionally, the course addresses point-group symmetry and the general theory of spectroscopies, with specific lectures on rotational, vibrational, electronic spectroscopy, and nuclear magnetic resonance.

The required texts for this course are Atkins and de Paula’s “Physical Chemistry” (9th edition) and Heine, Joswig, Gelessus’s “Computational Chemistry Workbook: Learning through Examples.” This course is designed to provide students with a comprehensive understanding of quantum mechanics’ principles and their applications in physical chemistry.

## 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 |