A modification of a previously defined virtual orbital transformation based on the Hartree–Fock exchange potential is shown to yield a set of orbitals which effectively approximate the frozen natural orbital CI convergence properties.
One platform for all researcher needs
AI-powered academic writing assistant
Your #1 AI companion for literature search
AI tool for graphics, illustrations, and artwork
Unlock unlimited use of all AI tools with the Editage All Access membership.
Explore Editage All AccessPublished in last 50 years