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Electron affinities with GPU-accelerated density-fitting EOM-CCSD, approximate EOM-CCSD methods and EOM-CCSD with frozen natural orbitals
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This work employs multiple strategies to reduce computational cost or increase computational efficiency in calculating electron affinities (EAs) based on the equation-of-motion coupled-cluster singles and doubles (EOMEA-CCSD) method.
Royal Society of Chemistry (RSC)
Title: Electron affinities with GPU-accelerated density-fitting EOM-CCSD, approximate EOM-CCSD methods and EOM-CCSD with frozen natural orbitals
Description:
This work employs multiple strategies to reduce computational cost or increase computational efficiency in calculating electron affinities (EAs) based on the equation-of-motion coupled-cluster singles and doubles (EOMEA-CCSD) method.
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