Advanced Quantum Chemistry with Laboratory I

CHEM C215A - Advanced Quantum Chemistry with Laboratory I

<p>Lecture, two and one half hours; discussion, one hour; laboratory, 90 minutes. Requisites: courses 110B, 113A, 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. Course C115A or Physics 115B with grade of C– or better is requisite to C115B. Students entering course C115A are normally expected to take course C115B 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 C215A. Letter grading.</p>

Chemistry and Biochemistry

College of Letters and Science

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CHEM C115A - Advanced Quantum Chemistry with Laboratory I

Understand the rules of quantum mechanics and how they are expressed in Hilbert space, the density matrix and its use for impure systems.

Understand the nature of coherent states and the role they play in quantum dynamics.

Numerically solve the time-dependent Schrodinger equation for the displaced quantum harmonic oscillator.

Understand how to propagate classical time-dependent systems numerically.

Learn to solve 3-D Schrodinger equation problems. 

Learn to use Python packages to compute numerical FFTs.

Find eigenvalues and eigenvectors; calculate matrix determinants and inverses.

Understand the quantum nature of the harmonic oscillator in Hilbert space with non-operator and operator methods.

Simple approaches for entangled systems.Bell’s inequality and the limits it poses onentangled systems..  

Understand the Fourier connection between position and momentum; understand how the Schrodinger equation arises from Hilbert space.  

Learn to perform numerical matrix diagonalization with the numpy.linalg package

Understand the nature of Hilbert space; diagonalize complex matrices, understand operator algebra with non-commuting observables, understand orthogonality in discrete vector spaces.

General Catalog

Advanced Quantum Chemistry with Laboratory I

CHEM C115A

4 units