Energy switching approach to potential surfaces. II. Two-valued function for the water molecule

Varandas, A.J.C.
July 1997
Journal of Chemical Physics;7/15/1997, Vol. 107 Issue 3, p867
Academic Journal
Uses a proposed energy switching scheme to improve the two-valued many-body expansion potential energy surface of water. Merger of the water with the spectroscopically accurate polynomial-type form; Attempt to improve long range forces and Coulombic behavior; Results of spectroscopic accuracy.


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