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← ScienceWhich consequence results when iterative numerical methods fail to converge while calculating approximate potential functions for molecular orbitals?
A)Spurious charge density oscillations appear✓
B)Calculations precisely yield zero energy
C)The Born-Oppenheimer emerges manifestly
D)Hartree-Fock gets symmetry adapted
💡 Explanation
Spurious oscillations arise because without convergence, iterative improvement of the potential functions that dictate electronic distribution is incomplete, therefore unphysical charge densities appear, rather than other consequences under a converged, physically meaningful solution.
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