Course Schedule, Exams, Reading and Homework
-The course website is at https://gruebelegroup.web.illinois.edu/courses/chem-440/chem-440-schedule/
–Dates: Check below for dates of all lectures, exams, reviews!
–Lecture: MWF at 10-10:50 AM by Zoom or in 100 NL. The title summarizes the lecture content.
–Reading: Q refers to our textbook Hayward, Quantum Mechanics for Chemists. Do all reading assignments before lecture: the lectures do not just repeat the book. N or T links to handouts/notes that regularly supplement the text and lectures. Have them handy during lecture.
–BOH: Gruebele Big Office Hours and reviews. Often on Fridays at 5 PM. Gruebele will stick around past 6:15 PM as long as you get there by then and not all questions have been answered.
–Homework: H links to assignments for each lecture. The bold problem(s) must be turned in. 80% of hour exam and final questions are modified homework problems, so keep up with all problems on a weekly basis! Assignments are due at the beginning of the first class of the next week. (e.g. if three problems are assigned on MWF in week 1, all three are due on Compass Monday of week 2).
| Date | Lecture | Reading | BOH | Homework |
|---|---|---|---|---|
| 1/25 L1 | Postulates of mechanics: States in classical (CM) and quantum (QM) mechanics | Q 1.1-1.3, 1.4.5, 7.1, N1, N1b | H1, S1 | |
| 1/27 L2 | CM of molecules I: How do x and p vary with time? | N2, L1 review | H2, S2 Play with MD demo |
|
| 1/29 L3 | CM of molecules II: What can it solve? | 5 PM | H3, S3 | |
| 2/1 L4 | Why do we need QM? The problems with CM | N4 | H4, S4 Play with QM demo |
|
| 2/3 R1 | Important math: Complex numbers | T1 Read the com-plex number part, and bring T1b | HT1, ST1 | |
| 2/5 R2 | Important math : Fourier transforms | Read the Fourier part of T1. | HT2, ST2 | |
| 2/8 L5 | Music: Fourier conjugate variables t (time) and w (frequency) | N5 | 5 PM | H5, S5 |
| 2/10 L6 | QM: Fourier conjugate variables x and p: The Heisenberg principle | Q 1.3, 3.1, 3.2, 3.4 N6 | H6 textbook problems!, S6 |
|
| 2/12 L7 | The Schroedinger equation: CM vs. QM of a vibrating diatomic molecule | Q 4.2.1, N7 | H7, S7 | |
| 2/15 L8 | CM, QM states, probability |Psi|2 and measurement. | Q 1.4.2-1.4.5 N8 | H8, S8 | |
| 2/19 L9 | Time-independent Schroedinger equation: unlike CM, QM has stationary states above the lowest energy | Q 4.1, 4.2.4, 7.1, 7.2 N9 | 5 PM | H9, S9 |
| 2/22 L10 | Stationary states of the vibrating diatomic molecule | Q 4.2.2 N10 | H10, S10 | |
| 2/24 L11 | Connection between stationary states and wave packets, excited states and spectroscopy | Q 4.2.3, 3.6 N11 | H11, S11 |
|
| 2/26 L12 | The chain molecule as a 1-D box filled with one electron | Q 2, 3.3 N12 , N12b-Math285 | 5 PM | H12, S12 |
| 3/1 L13 | Electron in a ring, molecule rotating on surface, and angular momentum | Q 5.1, N13 | H13, S13 | |
| 3/3 L14 | QM in more dimensions: Product wavefunctions, 3-D box | Q p. 119 (#7.1), N14 | H14, S14 | |
| 3/5 L15 | QM in more dimensions: 3-D rotation, part 1 | Q 5.2, Q p. 87-90., N15 | 5 PM | H15, S15 |
| 3/8 HE1 | Hour Exam #1, covers L1-12, Open annotated textbook and notes. Solutions to be posted. |
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| 3/10 L16 | QM in more dimensions: 3-D rotation, part 2 | Q 6.6.4, see N15 again, N16 | H16, S16 |
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| 3/12 L17 | QM in more dimensions: Hydrogen atom | Q 5.2, 6 (skip 6.3), N17 | H17, S17 |
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| 3/15 L18 | QM with more electrons: Spin, the Pauli principle (PP), and Slater wavefunctions | Q 5.3, 7.5.1-2, N18 | 5 PM | H18, S18 |
| 3/17 L19 | QM with more electrons: Benzene as particle on a ring | N19, IQmol documentation | H19, S19, download and install IQmol on your PC |
|
| 3/19 L20 | Turning QM into linear algebra I: vector=function | Q 7.1-3, N20, N20a | H20, S20 , play with IQmol user interface, build small molecules |
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| 3/22 L21 | Turning QM into linear algebra II: matrix=operator | N21 | H21, S21 |
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| 3/26 L22 | Turning QM into linear algebra III: eigenvalues and the H2+ molecule | Q 8.4, 8.6, N22 | H22, S22 |
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| 3/29 L23 | From matrix the bonds: H2+ and HeH2+ reviewed | Q 4.2.4, 4.3, N23 | H23, S23 , play with MO demo |
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| 3/31 L24 | Tunneling and the chemical bond | Q 1.3-1.4, Q4.3.4, N24 | 5 PM | H24, S24 |
| 4/2 L25 | The Hueckel model: a step up from electrons in a box | Q 8.13, N25 | H25, S25 |
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| 4/5 L26 | Molecular orbital (MO) basis functions for Psi | Q 8.4, 8.6, 8.7, N26 | H26, S26 |
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| 4/7 L27 | Valence bond (VB) basis functions for Psi, Lewis dots | Q 8.4, 8.6, 8.7, N27, N27a | 5 PM | H27, S27 |
| 4/9 L28 | The variational principle: effective nuclear charge of He | Q 7.4, 7.7, 8.2, 8.3, N28 | H28, S28 |
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| 4/12 L29 | The Hartree-Fock energy | Q 7.8, 7.9, N29 | H29, S29 |
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| 4/14 L30 | The self-consistent field (SCF) theory | Q 7.8, 7.9, N30, N30b | H30, S30 |
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| 4/16 HE2 | Hour Exam #2, covers L13-27, In-class, open annotated textbook and notes. Solutions to be posted. |
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| 4/19 L31 | Hund rules for atoms and molecules | Q 7.5-7.6, 7.10-7.12, N31 | H31, AO energies, S31 | |
| 4/21 L32 | Molecules: the Born Oppenheimer approximation | Q 8.5, N32 | H32, S32 |
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| 4/23 L33 | Potential energy surfaces I: diatomics by MO theory | Q 8.8-8.10, N33 | 5 PM | H33, S33 |
| 4/26 L34 | Potential energy surfaces II: polyatomic molecule by VB | Q 8.12, N34 | H34, S34 |
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| 4/28 L35 | PES and orbital continuity | N35 | H35, S35 |
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| 4/30 L36 | Orbital continuity and symmetry: Woodward-Hoffman rules | 5 PM | Tip: See Wikipedia article on Woodward-Hoffman rules for hints on H35. | |
| 5/3 L37 | Molecular spectroscopies: NMR, microwave, IR, UV-vis, to X-ray | No homework, but study the material | ||
| 5/5 | In-class review with Gruebele | |||
| 5/5 | Evening review with TAs | |||
| Final Exam: Friday May 14, 8-11 AM, covers all material | ||||
