Integral Hellmann–Feynman analysis of nonisoelectronic processes and the determination of local ionization potentials

Publisher Website
Google Scholar
Abstract
The integral Hellmann–Feynmann theorem is extended to apply to nonisoelectronic processes. A local ionization potential formula is proposed, and test calculations on three different approximate helium wavefunctions are reported which suggest that it may be numerically superior to the standard difference of expectation values. Arguments for the physical utility of the new concept are presented, and an integral Hellmann–Feynman analysis of transition energies is begun.