I. O. Glebov

NOPT: Quantum chemistry package for multireference perturbation theory calculations and its non-orthogonal extensions.

NOPT is an ab initio package for calculations using Non-Orthogonal methods and multireference Perturbation Theory. It can be used both as a ready-to-use quantum chemistry program and as an open-source system for modifying existing methods and developing new ones. The key functionality includes restricted Hartree-Fock,...