AGENDA

Last updated
Save as PDF

Page ID: 120240

\( \newcommand{\vecs}[1]{\overset { \scriptstyle \rightharpoonup} {\mathbf{#1}} } \) \( \newcommand{\vecd}[1]{\overset{-\!-\!\rightharpoonup}{\vphantom{a}\smash {#1}}} \)\(\newcommand{\id}{\mathrm{id}}\) \( \newcommand{\Span}{\mathrm{span}}\) \( \newcommand{\kernel}{\mathrm{null}\,}\) \( \newcommand{\range}{\mathrm{range}\,}\) \( \newcommand{\RealPart}{\mathrm{Re}}\) \( \newcommand{\ImaginaryPart}{\mathrm{Im}}\) \( \newcommand{\Argument}{\mathrm{Arg}}\) \( \newcommand{\norm}[1]{\| #1 \|}\) \( \newcommand{\inner}[2]{\langle #1, #2 \rangle}\) \( \newcommand{\Span}{\mathrm{span}}\) \(\newcommand{\id}{\mathrm{id}}\) \( \newcommand{\Span}{\mathrm{span}}\) \( \newcommand{\kernel}{\mathrm{null}\,}\) \( \newcommand{\range}{\mathrm{range}\,}\) \( \newcommand{\RealPart}{\mathrm{Re}}\) \( \newcommand{\ImaginaryPart}{\mathrm{Im}}\) \( \newcommand{\Argument}{\mathrm{Arg}}\) \( \newcommand{\norm}[1]{\| #1 \|}\) \( \newcommand{\inner}[2]{\langle #1, #2 \rangle}\) \( \newcommand{\Span}{\mathrm{span}}\)\(\newcommand{\AA}{\unicode[.8,0]{x212B}}\)

The reading agenda is provided below. Please keep in mind that the assignments and readings are tentative (grey out) after the current date.

Lecture 1: 9/21/16 (Unit I: Basics)

Lecture 2: 9/23/16 (Unit I: Basics)

1.3: Photoelectric Effect Explained with Quantum Hypothesis
1.4: The Hydrogen Atomic Spectrum
Lecture 2: The Rise of Quantum Mechanics
- Review Basics worksheet (if you have not done so already)

Lecture 3: 9/26/16 (Unit I: Basics)

1.5: The Rydberg Formula and the Hydrogen Atomic Spectrum
1.6: Matter Has Wavelike Properties
1.7: de Broglie Waves Are Observed Experimentally
Distributions (Optional) If you want to do some reading on distributions, the topic of this week's workgroup activity in discussion.
Lecture 3: The Rise of Quantum Mechanics
- Homework #2 Due Oct. 3rd at 9:00

Lecture 4: 9/28/16 (Unit I: Basics)

Lecture 5: 9/30/16 (Unit I: Basics)

Lecture 6: 10/3/16 (Unit I: Basics)

Lecture 7: 10/5/16 (Unit I: Basics)

Lecture 8: 10/7/16 (Unit I: Basics)

Lecture 9: 10/10/16 (Unit I: Basics)

Lecture 10: 10/12/16 (Unit II: Model Systems)

4.6: Commuting Operators Allow Infinite Precision
Number of vibrational modes for a molecule
5.1: A Harmonic Oscillator Obeys Hooke's Law
If you want a different take on particle in the box then review the following Module: 4.2: The Particle-in-a-Box Model (if you prefer this Module over the Section 3.5, let me know)
- Lecture 10: Vibrations

Lecture 11: 10/12/16 (Unit II: Model Systems)

5.2: Reduced Mass in the Harmonic Oscillator
5.3: The Harmonic-Oscillator Approximation
5.4: The Energy Levels of a Quantum-Mechanical Harmonic Oscillator (ignore tunneling for now)
Lecture 11
- Worksheet 3A (third full week): Operators and Eigenvalues
- Worksheet 3B (third full week): Particle in a Box

Exam 1: 10/17/16

Exam covers lectures 1 through 11
Practice Questions
Solutions to last year's exam (2016); the exam on Canvas
Solutions to this year's exam (2016)
- #5 Homework (Due 10/24/2016)

Lecture 12: 10/19/16 (Unit II: Model Systems)

Dirac Notation
5.5. The Harmonic Oscillator and IR Spectra
5.6. The Harmonic Oscillator Wavefunctions
5.7. Hermite Polynomials are Even or Odd
Lecture 12: Vibrational Spectroscopy of Diatomic Molecules

Lecture 13: 10/21/16 (Unit II: Model Systems)

Study Session 6: Vectors and Spherical Polar Coordinates
5.8. The Energy Levels of a Rigid Rotator
5.9. The Rigid Rotator Models a Rotating Diatomic
Lecture 13: Rigid Rotors and Microwave Spectroscopy
- Worksheet 4A: Vibrational Spectroscopy
- Worksheet 4B: Rotational Spectroscopy

Lecture 14: 10/24/16 (Unit III: Atoms)

6.1. The Schrodinger Equation for the Hydrogen Atom Can Be Solved Exactly
6.2. The Wave Functions of a Rigid Rotator Are Called Spherical Harmonics
If you need a generla chemistry refresher on the topic of Atomic Orbitals please review the following three pages:
Lecture 14: The Hydrogen Atom
- #6A Homework (Due 10/31/16)
- #6B Homework: ab initio Calculations (Due 10/31/16)

Lecture 15: 10/26/16 (Unit III: Atom)

6.3. The Precise Values of the Three Components of Angular Momentum Cannot Be Measured Simultaneously
6.4: Hydrogen Atomic Orbitals Depend upon Three Quantum Numbers
Lecture 15

Lecture 16: 10/28/16 (Unit III: Atoms)

Lecture 17: 10/31/16 (Unit III: Atoms)

Lecture 18: 11/2/16 (Unit III: Atoms)

Slater's Rules for Determining Effective Nuclear Charge
7.1. The Variational Method
- The Variational Method (advanced and Optional)
7.1B: Five Trial Functions applied to the Helium Atom
Lecture 18: Variational Method, Effective Charge, and Matrix Representation

Lecture 19: 11/4/16 (Unit III: Atoms)

7.2B. Collapsing Wavefunctions
7.2: Linear Variational Method and The Secular Determinant (NOT on exam 2, but very much on final)
Lecture 19: Variational Method Approximation & Matrix Representation
- Worksheet 6A: The Probabilistic Interpretation of Atomic Orbitals
- Worksheet 6B: Variational Method I (do this worksheet before class next week and you will need to understand it for Exam 2)

Lecture 20: 11/7/16 (Unit III: Atoms)

7.3. Trial Functions Can Be Combinations of Functions (NOT on exam 2, but very much on final)
7.4. Perturbation Theory (NOT on exam 2, but very much on final)
Lecture 20: Perturbation Theory
- Worksheet 7: Variational Method II
- #8A Homework: ab initio Calculations (Due 11/14/16)

Exam 2: 11/9/16

Exam covers lectures 12 through the start of 20 (but the basics of the content on the first exam should be mastered). The exception is that Perturbation theory is NOT on the exam.
Practice Exam Questions

No Lecture: 11/11/16

No class: Veterans' Day

Lecture 21: 11/14/16 (Unit III: Atoms)

8.1: Electronic Structure Calculation is Atomic Units
8.2: Approximations of the Helium Atom
8.4: An Electron Has An Intrinsic Spin Angular Momentum
Lecture 21: Spin, Pauli Exclusion Principle, and IndistinguishabilityMultielectron Systems
- #9A Homework (Due 11/21/16)
- Determinants (optional, but worthwhile for worksheet activity)
- Worksheet 8: Multi-Electron Wavefunctions

Lecture 22: 11/16/16 (Unit III: Atoms)

8.3: Hartree-Fock Equations
8.5: Wavefunction Symmetry and Interchange of Electrons
8.6: Slater Determinants
Lecture 22

Lecture 23: 11/18/16 (Unit III: Atoms)

8.7: Hartree-Fock Calculations
8.8: A Term Symbol Gives a Detailed Description of an Electron Configuration
Lecture 23
- Worksheet 9A and 9B

Lecture 24: 11/21/16 (Unit IV: Diatomic Molecules)

9.1: The Born-Oppenheimer Approximation
9.2: The \(H_2^+\) Prototypical Species
9.3: The Overlap Integral
Lecture 24: Electronic Spectra and Molecules
- Worksheet 10A
- #10 Homework (Due 11/30/16: Wednesday)
- Worksheet 9: Adding Angular Momenta in Multi-Electron Atoms

No Lecture: 11/23/16

No class: Thanksgiving

No Lecture: 11/25/16

No class: Thanksgiving

Lecture 25: 11/28/16 (Unit IV: Diatomic Molecules)

9.4: Chemical Bond Stability
9.5: Bonding and Antibonding Orbitals
9.6: Molecular-Orbital Bonding in \(H_2\)H2
Lecture 26: Born-Oppenheimer and Molecular Orbitals
- #11A Homework (Due 12/2/16: Friday)
- #11B ab initio Calculations (Due 12/2/16: Friday)
- Worksheet 10: The Dihydrogen Cation

Lecture 26: 11/30/16 (Unit IV: Diatomic Molecules)

9.7: Ordering Molecular Orbitals According to Energies
9.8: The Diatomic Helium Molecule
Lecture 27

Lecture 27: 12/2/16 (Unit IV: Diatomic Molecules)

9.9: Molecular-Orbital and the Pauli Exclusion Principle
9.10: Oxygen Molecules Are Paramagnetic
Lecture 28
- Worksheet 11A and Worksheet 11B

Final Exam: Friday, Dec. 7^th at 8:00 am - 10:00 pm

Comprehensive Exam covers lectures 1 through 27