| Topics | |
|
| Introduction to Quantum Mechanics. Motivation for QM, quantization, deBroglie wavelength, Bohr atom, Heisenberg Undertainty Principle | |
|
| Time Independent Schrodinger Equation. Particle in a box solution, introduction to eigenvalue problems and quantization | |
|
| Postulates of Quantum Mechanics. Wave functions, operators, properties of eigenvalues and eigenfunctions | |
|
| Harmonic Oscillator, rigid rotor, spectroscopy | |
|
| The Hydrogen Atom. Spherical solution to the Schrodinger equation, spherical harmonics, hydrogen atom wavefunctions and energy levels, rotational spectroscopy, angular momentum | |
|
| Approximation Methods. Variational theory, non-degenerate perturbation theory to second order, degenerate perturbation theory | |
|
| Multielectron Atoms. Effects of spin, Coulomb and exchange integrals, Slater determinants, atomic term symbols, Hund's rules | |
|
| The Chemical Bond. Born-Oppenheimer approximation, H2+, molecular orbital theory, term symbols for diatomics | |
|
| Bonding in polyatomic molecules. Hybrid Orbitals, Huckel theory | |
|
After the above topics
are covered, the coursewill be divided into two sections. Each section will
have its own final comprised of questions from the beginning of the course,
and questions specific to the section.
Section 1 (meet at 120 Latimer) — Quantum mechanics and spectroscopy in physical chemistry. This section of the course will focus on understanding state-of-the-art advances in the field of physical chemistry. There will be a strong emphasis on the time-dependent formulation of quantum mechanics, including wavepacket dynamics, time-dependent perturbation theory, and the interaction of molecules with laser radiation. Applications of this formalism to the electronic, vibrational, and rotational spectroscopy of diatomic and polyatomic molecules will be discussed. The quantum mechanics of laser operation and applications of lasers to physical chemistry will be presented. The course material will be derived primarily from Chapters 11-15 in McQuarrie and Simon, supplemented by additional material from the scientific literature.
Section 2 (meet at 9 Lewis) — Quantum mechanics and spectroscopy
for biophysical chemistry and structural biology. This section will
focus on the use of quantum mechanics to understand the bonding and spectroscopy
of large and/or biological molecules in the second phase. Topics will include:
time-dependent perturbation theory, interaction of radiation with matter, electronic
and vibrational spectroscopy of polyatomic molecules, normal modes of polyatomic
molecules, molecular orbital theory, bonding in biological molecules, electronic
absorption, emission, fluorescence, circular dichroism, NMR spectroscopy, X-ray
diffraction and other structural techniques, molecular modeling and molecular
dynamics and mechanics.