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November 25, 2025Physical Chemistry Chemical Physics

Electron affinities with GPU-accelerated density-fitting EOM-CCSD, approximate EOM-CCSD methods and EOM-CCSD with frozen natural orbitals

Zhigang Wang Fan Wang

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Abstract

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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Cite This Study

Wang et al. (2025) studied this question.

synapsesocial.com/papers/694035fb2d562116f2909855 https://doi.org/10.1039/d5cp03020j

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