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← ScienceWhich 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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