SWM4-DP model of water

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The SWM4-DP model [1] [2] of water has a TIP4P like structure, as well as incorporating a Drude oscillator.

Parameters


(Å) HOH , deg (Å) (kcal/mol) q(O) (e) q(H) (e) q(M) (e) (Å) q(Drude) (e) k(Drude) (kcal/mol/Å2)
0.9572 104.52 3.1803 0.20568 -1.77185 0.5537 -2q(H) 0.23808 -q(O) 1000

SWM4-NDP

SWM4-NDP [3].

SWM6

SWM6 [4].

References