10.675J / 5.675J Computational Quantum Mechanics of Molecular and Extended Systems
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10.675J / 5.675J Computational Quantum Mechanics of Molecular and Extended Systems

        

10.675J / 5.675J Computational Quantum Mechanics of Molecular and Extended Systems

Logo for 10.675J / 5.675J Computational Quantum Mechanics of Molecular and Extended Systems
The theoretical frameworks of Hartree-Fock theory and density functional theory are presented in this course 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... More
Material Type: Online Course
Date Added to MERLOT: October 20, 2011
Date Modified in MERLOT: October 20, 2011
Author:
Submitter: Sorel Reisman

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Language: English
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Creative Commons: Creative Commons License
This work is licensed under a Attribution-NonCommercial-ShareAlike 3.0 United States
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