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← ScienceWhich limitation arises when molecular orbital theory describes bonding?
A)Overlaps predict unphysical electron densities
B)Calculations computationally scale exponentially✓
C)Degenerate orbitals split unrealistically widely
D)Antibonding states promote atomic repulsion
💡 Explanation
Computational complexity dramatically increases due to the calculation of many-electron wave functions; because the number of calculations increase exponentially with the number of electrons, therefore larger molecules calculations become intractable, rather than orbital overlaps becoming unphysical.
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