Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Electrons and orbitals of an arbitrary system to exemplify the active space needed for many multireference methods. (a) The highest, not considered, molecular orbitals are inactive and always empty. (c) The lowest, not considered, molecular orbitals are always doubly occupied. (b) The active space is shown with two active electrons in two active orbitals.
