Real-space post-Hartree-Fock correlation models.
Real-space models of nondynamical correlation between electrons of opposite spin and of parallel spin in multicenter (molecular) systems are discussed. These models are designed to be partnered with Hartree-Fock or exact Kohn-Sham exchange. Thus the numerous and well-known problems of local density-functional exchange-correlation approximations, especially in stretched odd-electron systems, are circumvented.
Becke
Axel D
AD
Department of Chemistry, Queen's University, Kingston, Ontario K7L 3N6, Canada.