Waterlike particles in three dimensions

Simulation of the behavior of water by waterlike particles in three dimensions has all the merits discussed in the previous section. In addition, this type of computation, which may be referred to as the ab initio approach to liquid water, is of importance in establishing the most appropriate effective pair potential for water molecules. On the other hand, simulations in the three-dimensional case vastly increase the computer time required to execute a typical computation. In particular, because of the strong attractive forces operating among water molecules, the convergence of the numerical methods is usually slower than in the case of particles with relatively weak attractive forces. This aspect was discussed in the previous section, but it pertains to the three-dimensional case equally well. 

Three well-established techniques in the theory of simple fluids have been adapted recently to the study of waterlike particles in three dimensions. The effective pair potential which has been tried in all of the methods is essentially the one based on the Bjerrum model described in Section 6.4. 

---

The most successful and complete study of the behavior of a sample of waterlike particles in three dimensions has been carried out by Rahman... 

---

See also in sourсe #XX -- [ ]

---