ACES (computational chemistry)

Its major strength is the accurate calculation of atomic and molecular energies as well as properties using many-body techniques such as many-body perturbation theory (MBPT) and, in particular coupled cluster techniques to treat electron correlation.

The development of ACES II began in early 1990 in the group of Professor Rodney J. Bartlett at the Quantum Theory Project (QTP) of the University of Florida in Gainesville.

There, the need for more efficient codes had been realized and the idea of writing an entirely new program package emerged.

Taylor, and the integral derivative package ABACUS of T. Helgaker, P. Jorgensen J. Olsen, and H.J.

The latter was modified extensively for adaptation with Aces II, while the others remained very much in their original forms.