Author

B. Civalleri

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Open access Aug 2026

r2SCAN-Based Composite Methods for Solid-State Calculations

In this work, we have extended the existing “sol-3c” composite methods to meta-GGA XC functionals using the r2SCAN one. The corresponding r2SCAN-based composite methods in their pure and hybrid HF/DFT variants have been developed in combination with double-ζ (sol-def2-mSVP) and triple-ζ (pob-TZVP-rev2) quality basis...

M. Raimondo, Lorenzo Donà, B. Civalleri · Journal of Chemical Theory a... · 0 citations