Question: For a CASSCF wave function in which the active orbitals are taken as those that arise from the 2s and 2p AOs, state the number

For a CASSCF wave function in which the active orbitals are taken as those that arise from the 2s and 2p AOs, state the number of active electrons and the maximum number of electrons excited to virtual orbitals in the ground-state wave function for
(a) C2;
(b) N2;
(c) O2;
(d) F2.

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From Table 131 the homonuclear diatomic MOs that arise from the 2s and 2p AOs are 2 g 2 u 1 ux 1 uy ... View full answer

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