Sprik-Klein water model

Sprik M and M L Klein 1988. A Polarisable Model for Water Using Distributed Charge Sites. Journal of Chemical Physics 89 7556-7560. 

Sprik M, Klein ML (1988) A polarizable model for water using distributed charge sites. J Chem Phys 89(12) 7556-7560... 

M. Sprik and M. L. Klein, A Polarizable Model for Water Using Distributed Charges Sites, J. Chem. Phys. 89 (1988) 7556. 

R. W. Impey and M.E. Klein, J. Chem. Phys., 79 (1983) 926] models. The use of ab initio molecular dynamics methods has provided a more powerful and systematic route to determine potential functions for water [K. Eaasonen, M. Sprik, M. Parrinello and R. Car, J. Chem. Phys., 99 (1993) 9080]. 

Fig. 4 29. Polansable models of water and ions developed hy Sprik and Klein. (Figure adapted from Sprik M 1993 Effective Pair Potentials and Beyond In Computer Simulation in Chemical Physics, Allen MP, D J Tildesley (Editors) Dordrecht, Kluwer)...

The model of Sprik and Klein has a set of four fluctuating charges distributed on a tetrahedron located at the M site of a TIP4P water. These charges fluctuate such that the net charge is fixed. This scheme is described by an extended Lagrangian so that the equations of motion determine the fluctuations in the effective dipole moment. A thermostat was not employed in this study, so it should be viewed as a test case only. Liquid state water properties were adequately reproduced. 

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