Relativistic Prolapse-Free Gaussian Basis Sets of Double- and Triple‑ζ Quality for <i>s</i>- and <i>p</i>‑Block Elements: (aug-)RPF-2Z and (aug‑)RPF-3Z
This study presents two new relativistic Gaussian basis sets without variational prolapse of double- and triple-ζ quality, RPF-2Z and RPF-3Z, along with augmented versions including additional diffuse functions, aug-RPF-2Z and aug-RPF-3Z, which are available for all <i>s</i> and <i>...
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2024
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