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. 2022 Jan 19;12(5):2564–2573. doi: 10.1039/d1ra06649h

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
a

In units of e2a02Eh−1 for the atomic polarizability (αxx, αyy, αzz, α) and e2a0Eh−1 for the charge response parameter (κOH).