Category
page 1Semiempirical quantum chemistry methods
Hückel method
scientific theory of molecular orbitals
extended Hückel method
considers also sigma orbitals
CNDO/2
Complete Neglect of Differential Overlap (CNDO) is one of the first semi empirical methods in quantum chemistry. It uses the frozen core approximation, in which only the outer valence electrons are explicitly included, and the approximation of zero-differential overlap.
Semi-empirical quantum chemistry method
method in chemistry
Pariser–Parr–Pople method
calculation method in quantum chemistry