Wave function

Friday, September 26, 2008 - 2:00pm - 3:00pm
Lyudmila Slipchenko (Iowa State University)
After separating the electronic end nuclear coordinates through the Born-Oppenheimer approximation, one may attempt to solve the electronic Schrodinger equation by a hierarchy of wave function techniques. The lowest level in this hierarchy and the core method of the wave function quantum chemistry is the Hartree-Fock (HF) model, in which each electron moves in a mean field created by all other electrons. In order to get a chemical accuracy, one needs to correlate the motion of the electrons.
Subscribe to RSS - Wave function