Sufficient conditions for fragment and regional virial theorems
- 1 October 1974
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 61 (7) , 2536-2539
- https://doi.org/10.1063/1.1682375
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)].Keywords
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