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A new technique is introduced for optimization of valence-bond wave functions; this consists of evaluating energy derivatives with respect to orbital coefficients and applying a steepest descent algorithm.Application to cyclopropane predicts a bonding structure of Z)3* symmetry with three equivalent C-C bonds.The C-C bonds are localized between each two carbon atoms and are bent with orbital amplitude concentrated outside the ring.The bonding picture in cyclopropane is compared to ethylene, ethane, and diborane.
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Hamilton et al. (1993) studied this question.
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