Structural and dipolar fluctuations in liquid water: A Car-Parrinello molecular dynamics study

- The local tetrahedral order and dipolar fluctuations in liquid water were studied.
- Car-Parrinello quantum molecular dynamics simulations have been performed.
- The dipole moments depend strongly on the tetrahedral order and hydrogen bonding.
- High tetrahedrally-ordered water and ice Ih molecules have similar dipole moments.