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. 2014 May 23;140(20):204104. doi: 10.1063/1.4875735

Figure 11.

Figure 11

Quasi-atomic orbitals on the left atom from a FORS calculation of N2 and from a MCSCF calculation of F2, that includes six additional correlating orbitals, as discussed in the text. The orbitals on the same atom are mutually orthogonal. But the orbitals are not orthogonalized between atoms. Contours = 0.1 electron/bohr3/2.