| Literature DB >> 15740361 |
Abstract
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.Year: 2005 PMID: 15740361 DOI: 10.1063/1.1844493
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488