# Improved simulation of liquid water by molecular dynamics

@article{Stillinger1974ImprovedSO, title={Improved simulation of liquid water by molecular dynamics}, author={Frank H. Stillinger and Aneesur Rahman}, journal={Journal of Chemical Physics}, year={1974}, volume={60}, pages={1545-1557} }

Molecular dynamics calculations on a classical model for liquid water have been carried out at mass density 1 g/cm3 and at four temperatures. The effective pair potential employed is based on a four‐charge model for each molecule and represents a modification of the prior ``BNS'' interaction. Results for molecular structure and thermodynamic properties indicate that the modification improves the fidelity of the molecular dynamics simulation. In particular, the present version leads to a density…

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