Hydrogen Bonding between Molecules or Ions and in Molecular Crystals

摘要: In molecular physics scientists are inclined to interpret interactions between atoms, ions or molecules by a set of “forces” which usually grouped into different classes: weak and strong, specific unspecific, etc. Quantum mechanics, on the other hand, tells us that there is no unique wav split given energy interaction “physically” meaningful contributions as long charge distributions individual spread over unlimited regions due exponential decay their wave functions (see eg. Ahlrichs [1976]). The source these ambiguities mutual penetration electron density interacting subunits can be expressed quantitatively in terms overlap integrals.