Mar 28, 2024  
2017-2018 Graduate Catalog 
    
2017-2018 Graduate Catalog [ARCHIVED CATALOG]

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CH 6360 - Computational Quantum Chemistry and Electronic Structure Methods

3 Credits (3 Contact Hours)
Hands-on introduction to electronic structure calculations. Topics include types of quantum mechanical calculations, the theory behind ab initio and density functional theory methods, basis sets and basis set effects. Emphasis is placed on understanding the results of calculations and relating them to basic chemical principles.



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