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>>Courses
Mark Gordon's Quantum Theory Group
Ames Laboratory/Iowa State University
Professor:
Mark S. Gordon
CHEM 580: Computational Chemistry
Lecture Slides
CHEM580 Introduction Slides
CHEM580 Second Set
CHEM580 Basis Sets and Pseudopotentials
CHEM580 Beyond Hartree-Fock
CHEM580 GAMESS 1
CHEM580 DFT
CHEM580 MCSCF
CHEM580 MCSCF 2
CHEM580 Solvation
CHEM580 Global optimization
CHEM580 Composite Methods
CHEM580 Excited States
CHEM580 QM/MM
CHEM580 Semi-empirical methods
Sample Inputs and Outputs
NH3 Hessian input (.docx)
H2O CR-CCL output file (.docx)
H2O CCSD(T) output file (.docx)
SiH4 Saddle Point output (.docx)
C3Si2H8 Saddle point intput (.docx)
Test files for gamess
Solvation pertinent files