Outline
Running Gaussian 03 Lim, Seok Ho Byun, Jae Duk. OUT Line Introduction Introduction Task Task Program Start Program Start Input file example Input file.
Basis Sets with: { μ } – a set of known functions For UHF wave-functions two sets of coefficients are needed: if μ AO LCAO-MO if μ AO LCBF-MO.
Molecular Modeling of Crystal Structures
The ONIOM Method in Gaussian 03
