Computational Quantum Mechanics of Molecular and Extended Systems, Fall 2004
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| Type: | Course Related Materials |
| Grade Level: | Post-secondary |
Author: Trout, Bernhardt
Subject: Science and Technology
Institution Name:
M.I.T.
Collection Name: MIT OpenCourseWare
Abstract: The theoretical frameworks of Hartree-Fock theory and density functional theory are presented as approximate methods to solve the many-electron problem. A variety of ways to incorporate electron correlation are discussed. The application of these techniques to calculate the reactivity and spectroscopic properties of chemical systems, in addition to the thermodynamics and kinetics of chemical processes, is emphasized. This course also focuses on cutting edge methods to sample complex hypersurfaces, for reactions in liquids, catalysts and biological systems.
Details
Course Type: Full Course
Material Types: Activities and Labs, Homework and Assignments, Lecture Notes, Other, Syllabi
Media Formats: Text/HTML, Downloadable docs
Language: English
Additional Information
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Regional Relevance: All
