Abstract
An intuitive Hellmann–Feynman (H–F) force concept is presented for predicting the geometries of molecules in external electric fields of various strengths. The field-induced H–F force consists of internal and external forces and their balance determines the molecular geometry. Our previous model is valid in both strong and weak fields except for non-protic hydrogens. This exception is explained to being due to the local nature of the field-induced density reorganization, i.e. H-to-bond and bond-to-H electron flow. The force concept including this bond effect is applicable to various molecules in electric fields of various strengths.
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