Polar hard dumb-bells and a RISM model for water
- 20 June 1981
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 43 (3) , 669-684
- https://doi.org/10.1080/00268978100101591
Abstract
The solution of the RISM equation for polar hard dumb-bells (PHD) within the mean spherical approximation is presented. The dielectric constant for a fluid of such molecules is found to be given by ε=1+3y. A charged tetrahedral RISM molecule is proposed as a simple model for water. The solution of the RISM equation for this molecule and the dielectric constant are also obtained.Keywords
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