Skip to main content
. Author manuscript; available in PMC: 2010 Mar 23.
Published in final edited form as: J Phys Chem B. 2008 Aug 22;112(37):11838–11853. doi: 10.1021/jp802689p

Figure 7.

Figure 7

Occupied (left) and unoccupied (right) molecular orbitals based on the D95 orbitals used in the SACCI-CISD calculations. These are visually similar to the Slater orbitals used in the MNDO-PSDCI calculations.