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Mark Gordon's Quantum Theory Group
Ames Laboratory/Iowa State University
Tutor: Mark S. Gordon
Let's Learn About Quantum Chemistry!
Introductory Material
Introduction to Quantum Chemistry (39 slides)
Introduction to GAMESS (32 slides)
From Schrodinger to Hartree-Fock (CHEM580 - 43 slides)
Basis Sets and Pseudopotentials (.pptx - 34 slides)
Methods (PDF files)
Density Functional Theory (19 slides)
Introduction to MCSCF I (29 slides)
Introduction to MCSCF II (46 slides)
Review of Solvation Methods (69 slides)
Review of Excited States Methods (62 slides)
Composite Methods (11 slides)
Global Optimization
Coarse Graining (12 slides)
Example GAMESS Jobs (PDF files)
NH3 Optimization Output
NH3 Hessian Input
NH3 Hessian Output
Planar NH3 Hessian Input
Planar NH3 Hessian Output
Glycine MAKEFP Input (plain text)
Glycine MAKEFP Input (.doc)
Guest Lectures
CEEIS Presentation (pdf)
FMO Presentation (pdf)
FMO Example Inputs and Outputs (.zip file)
FMO References (pdf)
Need More?
The ACS PRF Summer School Lectures (Undergraduate Level)
Lectures on Electronic Structure Theory (Graduate Level)
An Introduction to Theoretical Chemistry by Jack Simons