Sufficient conditions for fragment and regional virial theorems

Abstract

Sufficient theoretical conditions are derived for the satisfaction of the molecular fragment virial theorem of Bader and Beddall [J. Chem. Phys. 56, 3320 (1972)] and of the regional virial theorem of Mazziotti, Parr, and Simons [J. Chem. Phys. 59, 939 (1973)].