| Literature DB >> 17696327 |
Abstract
Ground-state atomic correlation energies, and their kinetic energy and potential energy components, are shown to be well-represented by empirical formulas of the form CNrho(0)Z(-gamma), where C and gamma are constants that are largely invariant within various sets of atoms and positive ions, Z is the atomic number, N is the number of electrons, and rho(0) is the electron density at the nucleus. Results are given for neutral atoms, singly charged positive ions, and many isoelectronic series-315 atomic species in all.Entities:
Year: 2007 PMID: 17696327 DOI: 10.1021/jp073322z
Source DB: PubMed Journal: J Phys Chem A ISSN: 1089-5639 Impact factor: 2.781