Quantum Chemistry Methods

CHEM C113B - Quantum Chemistry Methods

<p>Lecture, three hours; discussion, one hour; tutorial, one hour. Requisite: course 113A. Complete introduction to electronic structure theory methods used by general computational chemistry community, focusing primarily on <em>ab initio</em> methods. Students gain understanding of electronic structure methods and tools to identify which methods are suitable for which types of systems. Methods covered include Hartree Fock, density-functional theory, perturbative methods, and modern high-correlation methods; and highlight algorithms necessary to implement these methods efficiently. Concurrently scheduled with course C113B. Independent study project required of graduate students. S/U or letter grading.</p>

Chemistry and Biochemistry

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College of Letters and Science

Chemistry is concerned with the composition, structure, and properties of substances, the transformations of these substances into others by reactions, and the kinds of energy changes that accompany these reactions.

General Catalog

Quantum Chemistry Methods

CHEM C213B

4 units