Abstract:The quantum-mechanical hypervirial (HV) theorems for atomic bound and scattering states are expressed as the expectation values of the commutator [W , H] between a virial operator W and the system Hamiltonian H. They provide various relationships between the average kinetic and potential energies, as well as the scattering phase shifts. Since the virial integral with an approximate wavefunction generally contains the information on the first-order error of the solution, we examine the applicability of the HV t… Show more
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.