Multi configurational electron structure theory

Roland Lindh
Quantum Chemistry
Department of Physical and Analytical Chemistry
Uppsala University


A brief introduction to the multi configurational electrons structure theory is presented. This method as expressed in the CASPT2/CASSCF which is the working horse in the ab initio studies conducted at the Department of Quantum Chemistry. I will give a brief introduction to the current research portfolio at the department. Finally I will say a few words about the MOLCAS quantum chemistry package which is developed here in Uppsala.