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Which outcome occurs when inaccuracies become significant in empirical atomic wave functions?

A)Electron repulsion energy underestimates system energy
B)Nuclear shielding calculation destabilizes noble gases
C)Excited state spectra simplify predictably overall
D)Vibrational mode assignments grow trivially clearer

💡 Explanation

Electron repulsion estimation deteriorates the calculation because the Hartree-Fock method treats electron correlation poorly. This impacts overall energy predictions; therefore, the system’s true energy is underestimated, rather than other spectral or noble gas properties being significantly affected.

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