Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5389711 | Chemical Physics Letters | 2006 | 7 Pages |
Abstract
With a PT2 exchange-correlation functional, OEP potentials will take such a shape that HOMO and LUMO become degenerate and the energy collapses to minus infinity.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Daniel Rohr, Oleg Gritsenko, Evert Jan Baerends,