The Journal of chemical physics
Length vs velocity gauge formulation of the frequency-dependent polarizability for 1D periodic systems at coupled cluster with single and double excitations level.
Taylor Parsons, Marco Caricato
Published: 202610.1063/5.0306772
Abstract
This study presents the implementation of the linear response function for 1D periodic systems at the coupled cluster with single and double excitations with periodic boundary conditions level (LR-CCSD-PBC) for the calculation of the frequency-depend…
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