U of I

So Hirata

Professor
Department of Chemistry

A520 CLSL MC712
600 S. Mathews Ave.
Urbana, IL 61801-3364

Tel: (217) 244-0629
Fax: (217) 244-3186
Email: sohirata@illinois.edu

CHEM 442 Physical Chemistry I
Quantum Chemistry & Spectroscopy
Spring 2016
Syllabus

Room: 217 Noyes Laboratory
Period: January 20 – May 4, MWF 10:00 – 10:50 AM
Final exam: May 12, 8 – 11 AM (217 Noyes Laboratory)

Instructor: So Hirata
Email: sohirata@illinois.edu
Phone: 214-277-0629
Office: CLSL A520
Office hours: MWF 11:00 – 11:50 AM @ CLSL A520

Teaching assistant: Sean Carney
Emails: spcarne2@illinois.edu
Office hours: T 3:30 – 4:30 PM @ Chem Library Group Study Room; R 4:30 – 5:30 PM @ Chem Library Conference Room (except Feb 11)

Teaching assistant: Joseph Courtney
Emails: joseph.m.courtney@gmail.com
Office hours: T 3:30 – 4:30 PM @ Chem Library Group Study Room; R 3:30 – 4:30 PM @ Chem Library Conference Room (except Feb 11)

Required text: P. Atkins and J. de Paula, “Physical Chemistry,” 10th or earlier edition

Prerequisites: CHEM 204 or 222; MATH 225 or 415; PHYS 211, 212 or 214

Recommended: MATH 285

Objectives: CHEM 442 is the first of the two-term sequence of Physical Chemistry, CHEM 442-444. It covers quantum mechanics in relation to atomic and molecular electronic structure and spectroscopy. The objective is the mastery of basic principles, numerical techniques, and applications of quantum chemistry, molecular point-group symmetry, and the theory of rotation, vibration, and electronic spectroscopies as well as electron spin and nuclear magnetic resonance spectroscopies.

This will be a problem course of instructions (or an inverted or flipped course). All lectures are recorded and made available online along with the power point presentations. Students are expected to view these at home and in advance. In each class, a set of problems on the day’s lecture topic (see below for the tentative schedule) is handed out to students, who solve them either individually or in teams. In the next class, randomly selected students are asked to present and explain their solutions and all must submit the written solutions. A next set of problems is given. This will be repeated throughout the course.

Exams: There will be two (2) hourly examinations (occurring during the normal class period in the normal class room) and a final examination.

Attendance: Class attendance is essential and will be monitored through the submissions of written solutions in each class.

Grades: The participation in the problem course of instruction 50% + the final exam 20% + the hourly exams 30%. The total percentage score will be rounded to the nearest integer. Grade A (A+, A, and A–) will be given to a score 85 –100%; B (B+, B, and B–) to 75 – 84%; C (C+, C, and C–) to 65 – 74%; D (D+, D, and D–) to 50 – 64%.

Student code: Students’ rights and responsibilities are stipulated in the student code found at http://admin.illinois.edu/policy/code 

1/20: Course overview
1/22: Lecture 1: discretization of energy (new lecture: faster, better, behind-the-scenes photo, online lecture, powerpoint, problem set)
1/25: Lecture 2: wave-particle duality (new lecture: faster, better, behind-the-scenes photo, online lecture, powerpoint, problem set)
1/27: Lecture 3: the Schrödinger equation (new lecture: faster, better, behind-the-scenes photo, online lecture1, online lecture2, powerpoint, problem set)
1/29: Lecture 4: mathematics for quantum chemistry (new lecture: faster, better, behind-the-scenes photo, online lecture, powerpoint, problem set)
2/1: Lecture 5: the Born interpretation (online lecture1, online lecture2, powerpoint, problem set)
2/3: Lecture 6: Hermitian operators (online lecture1, online lecture2, powerpoint, problem set)
2/5: Lecture 7: the uncertainty principle (online lecture1, online lecture2, powerpoint, problem set)
2/8: Lecture 8: the particle in a box (online lecture1, online lecture2, powerpoint, problem set)
2/10: Lecture 9: the particle in a well (online lecture, powerpoint, problem set)
2/12: Lecture 10: the harmonic oscillator (online lecture, powerpoint, problem set)
2/15: Lecture 11: the particle on a ring (online lecture1, online lecture2, powerpoint, problem set)
2/17: Lecture 12: the particle on a sphere (online lecture, powerpoint, problem set)
2/19: Lecture 13: space quantization and spin (new lecture: faster, better, behind-the-scenes photo, online lecture, powerpoint, problem set)
2/22: Lecture 14: time-independent perturbation theory (online lecture, powerpoint, problem set)
2/24: Lecture 15: time-dependent perturbation theory (online lecture, powerpoint, problem set)
2/26: Lecture 16: tunneling (new lecture: faster, better, behind-the-scenes photo, online lecture, powerpoint, problem set)
2/29: Review (Lectures 1-16)
3/2: Hourly exam #1 (Lectures 1-16)
3/4: Lecture 17: hydrogenic atoms I (online lecture, powerpoint, problem set)
3/7: Lecture 18: hydrogenic atoms II (online lecture, powerpoint, problem set)
3/9: Lecture 19: atomic spectra (online lecture, powerpoint, problem set)
3/11: Lecture 20: helium and heavier atoms (online lecture, powerpoint, problem set)
3/14: Lecture 21: spin multiplicities (online lecture, powerpoint, problem set)
3/16: Lecture 22: spin-orbit coupling (online lecture, powerpoint, problem set)
3/18: Lecture 23: the Born-Oppenheimer principle (online lecture, powerpoint, problem set)
3/28: Lecture 24: VB theory (online lecture, powerpoint, problem set)
3/30: Lecture 25: MO theory I (online lecture, powerpoint, problem set)
4/1: Lecture 26: MO theory II (online lecture, powerpoint, problem set)
4/4: Lecture 27: MO theory III (online lecture1, online lecture2, powerpoint, problem set)
4/6: Review (Lectures 17-27)
4/8: Hourly exam #2 (Lectures 17-27)
4/11: Lecture 28: point-group symmetry I (online lecture, powerpoint, problem set)
4/13: Lecture 29: point-group symmetry II (online lecture, powerpoint, problem set)
4/15: Lecture 30: point-group symmetry III (online lecture, powerpoint, problem set)
4/18: Lecture 31: general theory of spectroscopies I (new lecture: faster, better, behind-the-scenes photo, online lecture, powerpoint, problem set)
4/20: Lecture 32: general theory of spectroscopies II (new lecture: faster, better, behind-the-scenes photo, online lecture, powerpoint, problem set)
4/22: Lecture 33: rotational spectroscopy I (new lecture: faster, better, behind-the-scenes photo, online lecture, powerpoint, problem set)
4/25: Lecture 34: rotational spectroscopy II (new lecture: faster, better, behind-the-scenes photo, online lecture, powerpoint, problem set)
4/27: Lecture 35: vibrational spectroscopy (new lecture: faster, better, behind-the-scenes photo, online lecture1, online lecture2, powerpoint, problem set)
4/29: Lecture 36: electronic spectroscopy (new lecture: faster, better, behind-the-scenes photo, online lecture, powerpoint, problem set)
5/2: Lecture 37: nuclear magnetic resonance (new lecture: faster, better, behind-the-scenes photo, powerpoint, problem set)
5/4: Review (Lectures 28-37)
5/12: Final exam (Lectures 1-37)