TY - JOUR
AU1 - Hirata, So
AU2 - Grabowski, Ireneusz
AB - Why do variational electron-correlation methods such as truncated configuration-interaction methods tend to be non-size-consistent (non-size-extensive)? Why are size-consistent (size-extensive) methods such as Møller–Plesset perturbation and coupled-cluster methods non-variational? We conjecture that the variational and size-consistent properties are mutually exclusive in an ab initio electron-correlation method (which thus excludes the Hartree–Fock and density-functional methods). We analyze some key examples that support the truth of this conjecture.
TI - On the mutual exclusion of variationality and size consistency
JF - Theoretical Chemistry Accounts
DO - 10.1007/s00214-013-1440-y
DA - 2014-01-23
UR - https://www.deepdyve.com/lp/springer-journals/on-the-mutual-exclusion-of-variationality-and-size-consistency-nC930UTA6c
SP - 1
EP - 9
VL - 133
IS - 3
DP - DeepDyve
ER -