Tutor: Mark S. Gordon
Let's Learn About Quantum Chemistry!
Introductory Material
Methods (PDF files)
- Introduction to MCSCF I (28 slides)
- Introductino to MCSCF II (39 slides)
- Review of Solvation Methods (77 slides) - Updated 10/25/11
- Review of Excited States Methods (11 slides)
- Composite Methods (8 slides)
- Global Optimization
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