Values of the parameters related to the electrostatic polarization of water.
| Atom/bond | Property | Valuea |
|---|---|---|
| O | α xx | 4.856 |
| α yy | 3.339 | |
| α zz | 3.158 | |
| H | α xx | 1.457 |
| α ⊥ | 0.823 | |
| OH | κ OH | 2.605 |
In units of e2a02Eh−1 for the atomic polarizability (αxx, αyy, αzz, α⊥) and e2a0Eh−1 for the charge response parameter (κOH).