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    COLLOQUIUM OF THE LABORATORY FOR COMPUTER DESIGN OF MATERIALS
        Institute for Computational Sciences and Informatics
				CSI 929
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           MONTE CARLO STUDY OF ANALYTIC POTENTIALS FOR WATER
 
 			Lesser Blum 
	Department of Physics, University of Puerto Rico, and 
		National Science Foundation  
  
       We study  by  Monte Carlo computer simulation a series 
  of  intermolecular potentials for water, which are solvable 
  in the invariant  expansion formalism. They consist
  of hard spheres with a point dipole and a narrow  
  attractive potential well with terms up to the octupole. 
  We  show  that this very simple model agrees well with the 
  experimental pair correlation functions  of Soper and Phillips. 
  The sharpness of the first peak is attributed to the hard core, which
  is convenient, but not necessary for an explicit analytic solution.
  The formalism is also adapted for the treatment of solvation.
                      
	             Monday , March 3, 1997
                               4:30 pm
                    Room 206, Science & Tech. I
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