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CHEM 354 1 Prof. Allan SC Cheung 7 Q Ph sicalChemistr —Introduction to uantum Chemistr Contents: 4% L Heft/113
1. Background of the Quantum Theory 57:? :37.
2. Postulates of Quantum Mechanics (Q. M) i) Operators and eigenvalue equations ii) Hermitian Operators iii) Commutation relations and other deﬁnitions iv) Probability of a measurement V) Particle—in—a—box model
3. Angular momentum i) Angular momentum operators and their eigenfunctions ii) Meaning of an angular momentum vector in Q. M. iii) Ladder operators 4. The Heisenberg Uncertainty Principle i) The position—momentum uncertainty relation
ii) The energy—time uncertainty relation
C‘oh‘f‘f‘nuum (Ursa S’SwnT (‘50 9a)
5. Applications of Q. M. to different systems -- olclborntory tam-mm (4 @Kfur’mzn'l‘s') i) Particle in a 3 —dimensional box c Ye .. H 3 am hm" ( H179)
ii) Harmonic oscillator ! ”’9”me Vibmﬁon) .
ill) Rigid rotator (Motsrugm mhmtn) '- ﬂfﬁWWn/T‘ and +141" 0&9”)
iv) Hydrogen atom ’ 1 Ammwnr (3 '94:)
v) Hydrogen—like atom a. mid - rem rut (‘79,)
vi) Many—electron atom 13:11:43" a) Russell—Saunders (LS) coupling 5K “maﬁa/12,1, n (70 9g) b) j —j coupling
Vii) Atomic spectroscopy 6. Approximation methods: i) Variational method
ii) Hartree—Fock method Text and references: 1. P. Atkins and J. (16 Paula, Physical Chemistry 9th Ed., Oxford, 2010 2. T. Engel and P. Reid, Physical Chemistry, 2nd Ed. Pearson, 2009 3. D. A. McQuarrie, Quantum Chemistry, 2”CI Ed. University Science Books, 2007.
4. I. N. Levine, Quantum Chemistry, 6th Ed. Pearson, 2009 5. H. Eyring, J. Walter and G. E. Kimball, Quantum Chemistry, Wiley, 1944. ...

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- Fall '15
- pH, Quantum Chemistry