Abstract
A family of partial hypervirial theorems for physical properties of pairs of particles in three-and four-particle atomic-molecular systems is considered. The partial hypervirial theorems generalize the partial virial theorems proposed earlier. The sum rule is formulated, according to which the expectation values of the derivatives with respect to the interparticle distances are related to the products of the charges of pairs of the particles. This rule is used to check the accuracy of the calculation of variational wave functions for the positronium ion e − e − e +. It is shown that the sum rule is two orders of magnitude more sensitive to the inaccuracy of the calculation of the wave function than the partial virial theorems and is five or six orders of magnitude more sensitive to it than the conventional virial theorem.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call