A two-component relativistic IP-EOM-CCSD implementation using Cholesky decomposition and frozen natural spinors reproduces four-component and experimental ionization energies at reduced cost.
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A Reduced Cost Two-component Relativistic Equation-of-Motion Coupled Cluster Method for Ionization Potential
A two-component relativistic IP-EOM-CCSD implementation using Cholesky decomposition and frozen natural spinors reproduces four-component and experimental ionization energies at reduced cost.