Mark Gordon's Quantum Theory Group

Ames Laboratory/Iowa State University

Introductory Material

• Introduction to Quantum Chemistry (39 slides)
• Introduction to GAMESS (29 slides)

Methods (PDF files)

• Introduction to MCSCF I (28 slides)
• Introductino to MCSCF II (39 slides)
• Review of Solvation Methods (64 slides)
• Review of Excited States Methods (11 slides)

Example GAMESS Jobs (PDF files)

• NH3 Optimization Output
• NH3 Hessian Input
• NH3 Hessian Output
• Planar NH3 Hessian Input
• Planar NH3 Hessian Output

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