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), parallel SAPT, 3-body SAPT, 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.
Previous version (SAPT2002) is available here.After nearly 4 years since launching the previous version of SAPT, SAPT2006.1 has finally been released. It contains new features, new architectures, speed/memory improvements, and several bug fixes. Read more...