Chemical Physics Letters, Vol.667, 244-246, 2017
The differential virial theorem with gradient- and Laplacian-dependent operator formulas
A differential operator is given that can replace the two operators of the differential virial theorem that arise from the kinetic-energy operator. This new operator has a formula that depends only on the gradient and Laplacian operators. The differential virial theorem then becomes an equation containing operators with formulas that depend only on either the gradient operator or the gradient and Laplacian operators. (C) 2016 Elsevier B.V. All rights reserved.