Author/Authors :
Burke، نويسنده , , Kieron and Ernzerhof، نويسنده , , Matthias and Perdew، نويسنده , , John P.، نويسنده ,
Abstract :
For systems in which generalized gradient approximations (GGAs) work better for exchange-correlation energies than for exchange alone, a simple hybrid of GGA energies with the exact exchange energy is derived which improves the GGA result. A criterion is given which shows when this hybrid makes the greatest improvement. Results for molecules are given, showing that multiply bonded systems are most improved.
