Transcript CHEM 5581: Graduate Level Quantum Chemistry

CHEM 4531: Physical Chemistry II
Spring 2011
J. M. Weber
Technicalities(1)
• Requirements:
– CHEM 4511 or 4411
– PHYS 1120 or 2020
– recommended: firm grasp of algebra, complex numbers,
calculus, differential equations
• Class hours:
MWF 09:00 am to 09:50 am
• Office Hours:
M: 5 pm – 6 pm
TF: 10:30 am – 11:30 am
Technicalities(2)
• Locations:
– JILA tower A709
– phone 492-7841
– email [email protected]
– web site:
http://jila.colorado.edu/weberlabs/course-CHEM4531.html
• Exam schedule:
– Two-hour exams: February 10, March 10, April 14
5-7 pm OR 6-8 pm, locations TBA
– Final Exam: date, time, and location TBA
Technicalities(3)
• Problem sets (homework):
– usually handed out (i.e. posted on course web site) on
Wednesdays, to be returned the following Wednesdays
before class
– homework will be graded by graduate student TA (TBN)
– credits accumulated over the semester determine your
homework performance grade. Everyone may drop one
homework assignment without penalty.
• Travel:
Due to conference travel, I will not give lectures on Feb. 2 and
Feb 28. Another instructor may give the lectures in my stead.
As the 2-hr exams are held outside of class hours, some class
hours may be cancelled. At this time it is likely that there will
be no lectures on Feb. 1, 28
Technicalities(4)
• Additional lectures (voluntary):
Cover some material in more depth, review some math and
physics, do some computer experiments to enhance learning.
Some Thursdays 6 pm – 7 pm, will be announced
• Final grades:
– homework performance: 40%
– clicker questions (participation) 5%
– average of the two-hour-exams: 30%
– final exam: 25%
Technicalities(5)
• Textbooks:
Required: Donald A. McQuarrie “ Physical Chemistry”
Please note that reading material will be part of homework and
relevant for exams.
Optional: James R. Barrante “Applied Mathematics for Physical
Chemistry”
• Science Education Research
How do people learn quantum mechanics?
 Program funded by the National Science Foundation
 Graduate student researcher in charge: Marta Maron
 Your cooperation will help future generation of students
 I will not see individual results from your input, only class
average
Clicker Questions and PowerPoint Slides will be put on
the course web site!
Homework Assignments This Week
• Read McQuarrie & Simon, Chapters 1, A, 2, B
before Wednesday, January 19
• Problem Set 1: Mathematics
due before class on Friday, January 14
• Problem Set 2 will be posted on Wednesday, January 12
due before class on Wednesday, January 19
Additional Lecture This Week:
A Refresher on Complex Numbers
MASTERY OF THE KNOWN UNIVERSE (Graduate Course?!?)
From QM to Thermodynamics on a Molecular Level:
Statistical Mechanics
Spectroscopy
Molecular Bonding
Multielectron Atoms
The QM Description of the H-Atom
Vibrating Molecules:
The QM Harmonic Oscillator
Rotating Molecules:
The QM Rigid Rotator
Developing the Vocabulary of Quantum Mechanics: The Particle in a Box
Where Classical Physics Fails …
H
l
H
Electromagnetic Spectrum
Remote controls
l = 980 nm
MW ovens (2.45 GHz):
l = 12.2 cm
KBCO (97.3 MHz):
l= 3.08 m
KVOD (88.1 MHz):
l = 3.33 m