In the early 1970s, efficient ab initio computer programs such as ATMOL, Gaussian, IBMOL, and POLYAYTOM, began to be used to speed ab initio calculations of molecular orbitals.
1970ndatel kasutati hulgaliselt algelisi arvutiprogramme, näiteks ATMOL, Gaussian, IBMOL ja POLYAYTOM, mis kiirendas algseid molekulorbitaalide arvutusi.