CHM 545 - Quantum Chemistry I |
Time: | Mon./Wed./Fri. 9:40-10:30 am |
Location: | PS H433 |
Instructor: | Prof. Dmitry Matyushov Office: PSF 348 Phone: (480)9650057 E-mail: dmitrym@asu.edu Office hours: Mondays and Wednesdays, 10:30 - 11:30 am |
Text: | Symmetry and Spectroscopy, by Daniel C. Harris and Michael D. Bertolucci |
Additional Text: | Quantum Mechanics in Chemistry, by George C. Schatz and Mark A. Ratner |
Course web page: | http://www.public.asu.edu/~dmatyus/teaching/chm545/chm545.html |
Abstract |
Formal presentation of Quantum Mechanics using both the Schrodinger wave equation and Heisenberg matrix formulations. Vibrational and rotational states of polyatomic molecules and angular momentum theory. Introduction to group theory. Quantum mechanical selection rules in spectroscopy. Theory of optical band-shapes and electron transfer reactions. |
Tentative outline of the topics: |
Grading: |
Homework: | Four homework assignments will be given during the semester, each of which must be turned in by 6:00 PM on the due date. | 50% |
Mid-term exam: | A one-hour mid-term exam will be given in class on a date to be announced later. | 25% |
Final exam: | In-class presentation. | 25% |
All exams are open-book and open-notes. |
Syllabus: |
Syllabus |
Schedule |
Computational Lab: |
GAUSSIAN input files and Mathematica files |
Lecture Notes: |
Homework Assignments: |
No. | Assignment | Solutions | Assigned On | Due Date | |
1 | 02/13/06 | 02/20/06 by 6PM | |||
2 | 04/04/05 | 04/11/05 in class presentation | |||
3 | 04/18/05 | 04/25/05 by 6PM |
Exams: |
Midterm Exam | Solution | 03/22/05 |
Final Exam | May 8, 7:40-9:30 AM | |
End of classes | May 2 |