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← ScienceWhich outcome occurs when approximating molecular orbitals using Slater-type orbitals?
A)Accurate cusp representation near nuclei✓
B)Analytical evaluation of multi-center integrals
C)Higher numerical accuracy far from nuclei
D)Simplified calculation of exchange correlation
💡 Explanation
Slater-type orbitals accurately represent the wavefunction cusp near the nucleus because they contain an exponential term centered around the nucleus location. Therefore, using STOs ensures proper electron-nuclear interactions, rather than analytical simplicity afforded by other functions.
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