ErgoSCF

Welcome to the Ergo home page!

ErgoSCF.org is the home of Ergo, a quantum chemistry program for large-scale self-consistent field calculations.

Key features of the Ergo program: Linear response calculations of polarizabilities and excitation energies are possible for the restricted reference density, although complete linear scaling is in the current implementation not achieved since full dense matrices are still used in parts of the linear response implementation.