SAPT is a collection of computer codes designed to implement the many-body (body = electron) version of Symmetry-Adapted Perturbation Theory for intermolecular interactions. This code has been extensively used in studies of intermolecular forces. For a description of SAPT see: B. Jeziorski, R. Moszynski, and K. Szalewicz “Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes”, Chem. Rev. 94, 1887-1930 (1994). This review article contains references to the original papers where the SAPT methods were developed. Detailed description of the SAPT theory and SAPT code usage is available in the documentation section.
The SAPT suite consists of a few separate programs: serial SAPT, SAPT(DFT), open-shell SAPT(DFT), parallel SAPT, 3-body SAPT, 3-body SAPT(DFT), ATMOL SCF, and asymptotic properties packages. The programs are decribed on a separate page.
SAPT is available free of charge but is not a public domain program. Prospective users should consult the license section for instructions on how to obtain the program.
One of the former versions (SAPT2002) is available via this link. Another former version (SAPT2006) can be downloaded from the the download section.SAPT2008.2 has been released. Fixes some bugs found in SAPT2008.1. Read more...