SPC/ε water model

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The SPC/ε model ^[1] is a modified version of the simple point-charge model SPC for water.

Parameters[edit]

parameter	value
$σ$	$3.1785 Å$
$ϵ$	$84.9$ k_B
$r_{O H}$	$1 Å$
$∠_{H O H}$	$109.4 5^{\circ}$
$q_{O}$	$- 0.99 e$
$q_{H}$	$\| q_{O} \| / 2$ (charge neutrality)

References[edit]

↑ Raúl Fuentes-Azcatla, Noé Mendoza, AND José Alejandre "Improved SPC force field of water based on the dielectric constant: SPC/ε", Physica A: Statistical Mechanics and its Applications 420 PP. 116-123 (2015)

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