The FNS++CD-X2CMP-LR-CCSD method computes static and frequency-dependent polarizabilities with relativistic effects by truncating 73% of virtual spinors on average while matching four-component references for systems up to 1400+ basis functions.
Coupled-cluster based linear response approach to property calculations: Dynamic po- larizability and its static limit
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Efficient Implementation of Relativistic Coupled Cluster Linear Response Theory in Combination with Perturbation Sensitive Natural Spinors and Cholesky Decomposition Treatment of Two-electron Integrals
The FNS++CD-X2CMP-LR-CCSD method computes static and frequency-dependent polarizabilities with relativistic effects by truncating 73% of virtual spinors on average while matching four-component references for systems up to 1400+ basis functions.