Comparison of density functional and Har
✍
Peter Politzer; Fakher Abu-Awwad; Jane S. Murray
📂
Article
📅
1998
🏛
John Wiley and Sons
🌐
English
⚖ 273 KB
👁 1 views
We investigated whether an average local ionization energy defined within the framework of Hartree᎐Fock theory is physically meaningful in Kohn᎐Sham density functional theory, in view of the uncertainty in relating the latter orbital energies to electronic ionization energies. In a preliminary study