Advanced Quantum Chemistry with Laboratory II

CHEM C115B - Advanced Quantum Chemistry with Laboratory II

<p>Lecture, two and one half hours; discussion, one hour; laboratory, 90 minutes. Requisites: courses 113A, C215A or Physics 115B, Mathematics 31A, 31B, 32A, 32B, 33A, with grades of C– or better. Recommended: knowledge of differential equations equivalent to Mathematics 134 or 135 or Physics 131 and of analytic mechanics equivalent to Physics 105A. Students entering course C215A are normally expected to take course C215B in following term. Designed for chemistry students with serious interest in quantum chemistry. Postulates and systematic development of nonrelativistic quantum mechanics; expansion theorems; wells; oscillators; angular momentum; hydrogen atom; matrix techniques; approximation methods; time dependent problems; atoms; spectroscopy; magnetic resonance; chemical bonding. May be concurrently scheduled with course C115B. Letter grading.</p>

Chemistry and Biochemistry

College of Letters and Science

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CHEM C215B - Advanced Quantum Chemistry with Laboratory II

Learn to derive and apply Fermi’s golden rule; apply the semi-classical theory of spectroscopy.

Analyze how various parameters such as initial conditions and potential parameters affect the time evolution of the wavefunctions, gaining insights into quantum dynamics.

Understand different approaches for numerically solving Schrodinger’s equations for molecules; understand Quantum scattering theory.

Understand quantized EM radiation, vacuum fluctuations, Feynman diagrams, and spectroscopy with photons rather than classical radiation. 

Understand how to numerically approximate the sums that appear in second-order perturbation theory.

Understand exchange and correlation in multi-electron systems, and methods for solving Schrodinger’s equation.

Understand how to access and use the Gaussian software package; work with the instructor to choose a molecule and perform quantum chemistry calculations to address a particular question about the molecule.

Learn to numerically estimate the fluorescence lifetime and absorption cross-section of real molecules.

Understand how to solve problems that are only slightly different from a known problem; understand split degeneracy.

General Catalog

Advanced Quantum Chemistry with Laboratory II

CHEM C215B

4 units