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About: Compliance Constants     Goto   Sponge   NotDistinct   Permalink

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Compliance Constants are the elements of an inverted Hessian matrix. The calculation of compliance constants provides an alternative description of chemical bonds in comparison with the widely used force constants explicitly ruling out the dependency on the coordinate system. They provide the unique description of the mechanical strength for covalent and non-covalent bonding. While force constants (as energy second derivatives) are usually given in aJ/Å2 or N/cm, compliance constants are given in Å2/aJ or Å/mdyn.