Handouts

•  Intro to HF/basis sets
•  some G03 pointers 
•   optimization methods 
•   Notes on SCF methods 
•  intro- properties 
•  intro to MP2 and coupled cluster methods 
•  singlet and triplet states  
•  CIS and CAS  
•  vibrational spectroscopy  
•  intro to DFT  
•  Pseudopotentials  
•  kpoint sampling  
•  primitive cells and modeling surfaces  
•  More on force fields  

Chapters from Jensen Text

•  Jensen Chpt. 3  
•  Jensen Chpt. 4  
•  Jensen Chpt. 6