Single-Reference ab lnitio Methods for the Calculation of Excited States of Large Molecules.

The article presents a survey of single-reference ab initio excited state methods, which can be used for large molecules and to not explicitly include correlation through the ground-state wave function. Time-dependent density functional theory is currently the most popular technique for the computation of excited states of medium-sized and large molecules. With the advances in computer technology, systems up to 300 second-row atoms became possible.