Linear scaling high-spin open-shell local correlation methods

Yu Liu
There are two kinds of popular methods in quantum chemistry: those based on wave function theory, which are usually named ab initio methods, and density functional theory (DFT). DFT is applicable to systems with 100-300 atoms, but it is also well known that its accuracy can not be systematically improved. DFT can sometimes provide results with errors smaller than 1 kcal/mol, but it can also lead to errors of more than 10 kcal/mol. Consequently, DFT...
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