Physical Chemistry
Fall 2017
Topics
- Historical Background, Photoelectric Effect
- Wave Nature of the Electron and the Internal Structure of an Atom
- Two-Slit Experiment, Quantum Weirdness
- Classical Wave Equation and Separation of Variables
- Quantum Mechanics: Free Particle and Particle in 1D box
- 3-D Box and QM Separation of Variables
- Classical Mechanical Harmonic Oscillator
- Quantum Mechanical Harmonic Oscillator
- The Harmonic Oscillator: Creation and Annihilation Operators
- The Time-Dependent Schrödinger Equation
- Wavepacket Dynamics for Harmonic Oscillator and PIB
- Catch Up and Review, Postulates
- From H ij Integrals to H Matrices I
- From H ij Integrals to H Matrices II
- Non-Degenerate Perturbation Theory I
- Non-Degenerate Perturbation Theory II: HO using a , a †
- Rigid Rotor I. Orbital Angular Momentum
- Rigid Rotor II. Derivation by Commutation Rules
- Spectroscopy: Probing Molecules with Light
- Hydrogen Atom I
- Hydrogen Atom II. Rydberg States
- Helium Atom
- Many-Electron Atoms
- Molecular Orbital Theory I. Variational Principle and Matrix Mechanics
- Molecular Orbital Theory II. H 2 + , A 2 , AB Diatomics
- Qualitative MO Theory: Hückel
- Non-Degenerate Perturbation Theory III
- Modern Electronic Structure Theory: Basis Sets
- Modern Electronic Structure Theory: Electronic Correlation
- Time-Dependent Perturbation Theory I. H is Time-Independent, Zewail Wavepacket
- Time-Dependent Perturbation Theory II. H is Time-Dependent: Two-Level Problem
- Intermolecular Interactions by Non-Degenerate Perturbation Theory
- Electronic Spectroscopy: Franck-Condon
- Electronic Spectroscopy and Photochemistry
- δ-Functions, Eigenfunctions of X , Discrete Variable Representation
- Time Dependence of Two-Level Systems: Density Matrix, Rotating Wave Approximation
Readings
- [McQuarrie] = McQuarrie, Donald A. Quantum Chemistry, 2nd Edition . University Science Books, 2007. ISBN: 9781891389504.
- [Field] = Field, Robert W. Spectra and Dynamics of Small Molecules. Springer, 2015. ISBN: 9783319159577.
- [CTDL] = Cohen-Tannoudji, Claude, Bernard Diu, and Franck Laloë. Quantum Mechanics . Wiley, 1991. ISBN: 9780471164333
- LEC #: 1 · TOPICS: Historical Background, Photoelectric Effect · READING: [McQuarrie] Chapter 1
- LEC #: 2 · TOPICS: Wave Nature of the Electron and the Internal Structure of an Atom · READING: [McQuarrie] Chapter A
- LEC #: 3 · TOPICS: Two-Slit Experiment, Quantum Weirdness · READING: [McQuarrie] Chapters 1, B
- LEC #: 4 · TOPICS: Classical Wave Equation and Separation of Variables · READING: [McQuarrie] Chapter 2
- LEC #: 5 · TOPICS: Quantum Mechanics: Free Particle and Particle in 1D box · READING: [McQuarrie] Chapter 3.1–3.8
- LEC #: 6 · TOPICS: 3-D Box and QM Separation of Variables · READING: [McQuarrie] Chapter 3.9
- LEC #: 7 · TOPICS: Classical Mechanical Harmonic Oscillator · READING: [McQuarrie] Chapter 5.1–5.4
- LEC #: 8 · TOPICS: Quantum Mechanical Harmonic Oscillator · READING: [McQuarrie] Chapter 5.5–5.12
- [McQuarrie] Chapter 5
- [CTDL] Chapter V.B
- LEC #: 10 · TOPICS: The Time-Dependent Schrödinger Equation · READING: [McQuarrie] Chapter 4.9
- LEC #: 11 · TOPICS: Wavepacket Dynamics for Harmonic Oscillator and PIB · READING: [CTDL] Chapter V.F
- LEC #: 12 · TOPICS: Catch Up and Review. Postulates · READING: [McQuarrie] Chapter 4
- LEC #: 13 · TOPICS: From H ij Integrals to H Matrices I · READING: [Field] Chapter 6.1–6.4
- LEC #: 14 · TOPICS: From H ij Integrals to H Matrices II · READING: [McQuarrie] Chapters 4, F, G, H
- LEC #: 15 · TOPICS: Non-Degenerate Perturbation Theory I · READING: No readings
- LEC #: 16 · TOPICS: Non-Degenerate Perturbation Theory II: HO using a , a † · READING: [McQuarrie] Chapter 6
- LEC #: 17 · TOPICS: Rigid Rotor I. Orbital Angular Momentum · READING: [McQuarrie] Chapters 6, E
- [McQuarrie] Chapter 6, Appendix
- [McQuarrie] Chapter 8.6
- LEC #: 20 · TOPICS: Hydrogen Atom I · READING: [McQuarrie] Chapter 7.1–7.5
- LEC #: 21 · TOPICS: Hydrogen Atom II. Rydberg States · READING: Notes
- LEC #: 22 · TOPICS: Helium Atom · READING: [McQuarrie] Chapters 7.9, 9.1–9.5, Appendix Chapter 9
- LEC #: 23 · TOPICS: Many-Electron Atoms · READING: [McQuarrie] Chapter 9.5–9.12
- [McQuarrie] Chapters 8.1–8.3, 10.1–10.4
- LEC #: 25 · TOPICS: Molecular Orbital Theory II. H 2 + , A 2 , AB Diatomics · READING: [McQuarrie] Chapter 11.1–11.5
- LEC #: 26 · TOPICS: Qualitative MO Theory: Hückel · READING: [McQuarrie] Chapter 11.6–11.8
- LEC #: 27 · TOPICS: Non-Degenerate Perturbation Theory III · READING: [Field] Chapter 4.1–4.3
- [McQuarrie] Chapter 12
- LEC #: 30 · TOPICS: Time-Dependent Perturbation Theory I. H is Time-Independent, Zewail Wavepacket · READING: [Field] Chapters 6 and 8
- LEC #: 31 · TOPICS: Time-Dependent Perturbation Theory II. H is Time-Dependent: Two-Level Problem · READING: [CTDL] pp. 403–415, 417–419, 424–429, 443–449
- LEC #: 32 · TOPICS: Intermolecular Interactions by Non-Degenerate Perturbation Theory · READING: [CTDL] pp. 1130–1140
- LEC #: 33 · TOPICS: Electronic Spectroscopy: Franck-Condon · READING: [Field] Chapters 6.4, 8
- McQuarrie, Donald A. Quantum Chemistry, 2nd Edition . University Science Books, 2007. ISBN: 9781891389504.
- Field, Robert W. Spectra and Dynamics of Small Molecules. Springer, 2015. ISBN: 9783319159577.
- Cohen-Tannoudji, Claude, Bernard Diu, and Franck Laloë. Quantum Mechanics . Wiley, 1991. ISBN: 9780471164333.
Fall 2007
This course presents an introduction to quantum mechanics. It begins with an examination of the historical development of quantum theory, properties of particles and waves, wave mechanics and applications to simple systems — the particle in a box, the harmonic oscillator, the rigid rotor and the hydrogen atom. The lectures continue with a discussion of atomic structure and the Periodic Table. The final lectures cover applications to chemical bonding including valence bond and molecular orbital theory, molecular structure, spectroscopy. Acknowledgements ---------------- The material for 5.61 has evolved over a period of many years, and, accordingly, several faculty members have contributed to the development of the course contents. The original version of the lecture notes that are available on OCW was prepared in the early 1990's by Prof. Sylvia T. Ceyer. These were revised and transcribed to electronic form primarily by Prof. Keith A. Nelson. The current version includes additional contributions by Professors Moungi G. Bawendi, Robert W. Field, Robert G. Griffin, Robert J. Silbey and John S. Waugh, all of whom have taught the course in the recent past.
Readings
- McQuarrie, Donald A. Quantum Chemistry . 2nd ed. Sausalito, CA: University Science Books, 2007. ISBN: 9781891389504.
- The Readings column refers to relevant sections in the course textbook:
- SES #: L1 · TOPICS: Historical development · READINGS: Chapter 1
- SES #: L3 · TOPICS: Wave nature, de Broglie wavelength · READINGS: Chapter 2
- SES #: L5 · TOPICS: Stationary waves, Schrödinger equation · READINGS: Chapter 3
- SES #: L7 · TOPICS: Probabilities, expectation values, operators I · READINGS: Chapter 4
- SES #: L11 · TOPICS: Classic harmonic oscillator · READINGS: Chapter 5
- SES #: L14 · TOPICS: Three dimensional systems · READINGS: Chapter 6
- SES #: L18 · TOPICS: Hydrogen atom I · READINGS: Chapter 7.1-7.5
- SES #: L20 · TOPICS: Variation principle · READINGS: Chapter 8.1-8.2
- SES #: L21 · TOPICS: Helium atom · READINGS: Chapter 9.1-9.4
- SES #: L25 · TOPICS: Born-Oppenheimer approximation · READINGS: Chapter 10.1-10.5
- SES #: L27 · TOPICS: LCAO-MO theory · READINGS: Chapter 11
- SES #: L30 · TOPICS: Interaction of light with matter · READINGS: Chapter 8.5-8.6
Sources
- Course catalogue ↗Historical OpenCourseWare
- MIT OCW calendar ↗
- MIT OCW readings ↗
- MIT OCW syllabus ↗
- MIT OpenCourseWare ↗Fall 2007
- MIT OCW syllabus ↗
- MIT OCW readings ↗
- Historical MIT OpenCourseWare offering. Named reading entries and schedule topics are automatically extracted from the linked source pages.
- Historical MIT OpenCourseWare offering. Named reading entries and schedule topics are automatically extracted from the linked source pages.