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               SEMINAR OF THE DYNAMICAL SYSTEMS GROUP
         Institute for Computational Sciences and Informatics
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          TIGHT-BINDING TOTAL ENERGY CALCULATIONS FOR METALS
                         D.A. Papaconstantopoulos 
                         Naval Research Laboratory  
                            Washington D.C.
  

     We have applied a new tight-binding total energy method1 to calculate
equations of state, defect energies, elastic constants and phonon spectra in
metals.  The approach does not rely on the construction of a pair potential and
produces results at the same level of accuracy as first principles methods, with
remarkable gains in computer speed.  I will present results on a variety of
metals including the 29-atom unit cell of alpha-Mn.

1R.E. Cohen, M.J. Mehl and D.A. Papaconstantopoulos, Phys. Rev. Rapid 
Communication, Nov. 1994.
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                         Monday, November 7, 1994
			    
                               5:30 pm
		  Science and Technology I, Room 206