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← ScienceWhich outcome occurs when numerical convergence fails approximating multi-electron wave functions?
A)Unphysical negative energy solutions appear✓
B)Improved precision within calculated regions
C)Accurate molecular vibrational frequencies emerge
D)Guaranteed satisfaction of Schrödinger's equation
💡 Explanation
An iterative method lacking convergence produces nonphysical solutions because the Self-Consistent Field (SCF) method fails to correctly represent electron interactions; therefore negative energies arise, rather than the molecule's expected quantum behaviour or precise property calculation.
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