| Literature DB >> 16626173 |
Viktor N Staroverov1, Gustavo E Scuseria, Ernest R Davidson.
Abstract
It is commonly believed that the exchange-only optimized effective potential (OEP) method must yield total energies that are above corresponding ground-state Hartree-Fock (HF) energies except for one- and two-electron systems. We present a simple procedure for constructing local (multiplicative) exchange potentials that reproduce exactly the HF energy and density in any finite basis set for any number of electrons. For any finite basis set, no matter how large, there exist infinitely many such OEPs, which questions their suitability for practical applications.Year: 2006 PMID: 16626173 DOI: 10.1063/1.2194546
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488