Chem. 442C 

Prof. Nancy Makri

Fall 2014

 

Course Outline

Introduction to quantum mechanics.  The particle-wave duality.  Book Ch. 7.1, 7.2 - just read for background.  Know the de Broglie relation.  Math review: Complex numbers. 

The time-independent Schrodinger equation.  Wavefunctions, operators, eigenvalues, quantization, expectation values, uncertainty principle, postulates.   Book Ch. 7.3-7.7.  The time-dependent Schrodinger equation.

Model quantum mechanical problems.  Free particle (translational motion), particle in a box, separable multidimensional systems, degeneracy, tunneling, harmonic oscillator (vibrational motion), rotational motion, spin.  Book Ch. 8. 

Atomic structure and spectra.  Hydrogenic atoms, orbitals etc, selection rules.  Many-electron atoms, spin-orbitals, Slater determinants, electron correlation, spin-orbit coupling, multiplicity.  Book Ch. 9.

Molecular structure.  Born-Oppenheimer approximation, valence-bond theory, molecular orbital theory.  The variational principle.  The Huckel approximation.  Book Ch. 10.

Molecular spectroscopy.  Rotational spectra, vibrational spectra, electronic transitions, selection rules.  Magnetic resonance.  Book Ch. 12, 13, 14.