Computational Quantum Mechanics

MATSE 598

Fall 1999

 

 

bulletInstructors
bulletDr Jim Adams (ASU) ERC 281
bulletDr Rampi Ramprasad (Motorola)

 

bulletTeaching Assistant
bulletDon Siegel (ERC 216)

 

bullet Reference Materials
bullet Szabo and Ostlund's Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory. Dover 1996.
bullet M.C. Payne, et al. Iterative Minimization Techniques for ab initio Total-Energy Calculations: Molecular Dynamics and Conjugate Gradients, RMP 64, #4, (1992), 1045.
bullet Warren Pickett. Pseudopotential Methods in Condensed Matter Applications. Comp. Phys. Reps, 9, (1989), 115

 

bullet Course Syllabus

 

bullet Homework Assignments
bullet Unix tutorial #1
bullet Unix tutorial #2
bullet QM review
bullet Gaussian 98: tutorial, homework
bullet Jellium: manual, homework
bullet Tight-binding
bullet VASP, part 1
bullet VASP, part 2

 

bullet Quiz Review Questions
bullet Quiz 1
bullet Quiz 2
bullet Quiz 3

 

bullet Useful Links
bullet VASP manual
bullet Periodic Table
bullet Crystal Structures
bullet F90 Reference
bullet UNIX
bullet NCSA
bullet Computational Chemistry List