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We exhibit a set of orthonormal CH bond orbitals, having high overlap (?0.998) with those of Hoyland and Sovers et al., but predicting an ethane rotation barrier of incorrect sign when employed in an antisymmetric wave function. Taken together with previous work of Levy et al., this indicates that wave function antisymmetry is neither necessary nor sufficient for the appearance of barrier forces in approximate quantum-chemical calculations.
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Corcoran et al. (1980) studied this question.
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