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← ScienceWhich consequence results when approximating molecular wave functions?
A)Loss of electron correlation effects✓
B)Increased computational resource requirements
C)Exact reproduction of potential energy
D)Unphysical vibrational mode frequencies
💡 Explanation
Approximating molecular wave functions causes a loss of electron correlation effects through limitations in the functional used, because the functional can't fully describe the interactions; therefore calculations underestimate correlation, rather than addressing computation or frequency, due to simplification.
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