Abstract
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.
Full Text 
Sign-in/Register to access full text options
Sign-in/Register to access full text options 
Published version (
Free)
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
