Frozen natural spinors and Cholesky decomposition are combined in an X2CAMF-based two-component CCSD/CCSD(T) implementation that matches four-component accuracy for tested molecules at much lower cost.
S.; K\'allay, M.; Visscher, L
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Frozen natural spinors for Cholesky decomposition based two-component relativistic coupled cluster method
Frozen natural spinors and Cholesky decomposition are combined in an X2CAMF-based two-component CCSD/CCSD(T) implementation that matches four-component accuracy for tested molecules at much lower cost.