Question

What is the dipole moment of a water molecule according to ab initio calculations and how does it compare to the experimental value?

Answer 1

The dipole moment of a water molecule according to ab initio calculations varies depending on the level of theory and basis set used in the calculations. However, a typical value obtained from high-level ab initio calculations is around 1.85 Debye.The experimental value of the dipole moment of a water molecule is approximately 1.85 Debye as well. This shows that ab initio calculations can provide accurate results that are in good agreement with experimental values for the dipole moment of a water molecule.