Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
94 (1991), S. 3748-3752
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Here we present an ab initio study of the many-body expansion for the water–water interaction. Emphasis is made in the difference in convergence of the expansion for the different phases of water. It is shown that for the geometrical arrangements that appear in liquid water, the four-body nonadditivity is larger and the convergence slower than for the other two phases. Hence particular attention should be given for the proper description of the interactions in the aggregates that will arise in the numerical simulations of liquid water.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.459746
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