The Potential Function of the Water Molecule

摘要: For use with frequencies corrected for anharmonicity the energy of a molecule is expressed by complete quadratic form. Reduction force constants in Cartesian coordinates to an independent set relations due symmetry and mutual forces carried out systematic matrix method which particularly useful correcting finding functions masses invariant isotopic molecules. H2O D2O these being satisfied, potential function indeed assumed be unchanged, all are computed, compared those various models. In S–P picture H–H repulsion, ionic terms OH bonding exchange integrals angular prove values expected theoretically.