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A. Misquitta

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Preprint Sep 2026

Benchmarking higher-ranking multipoles and polarizability tensors for small molecular systems

Molecular properties govern how molecules interact with one another or external fields. Accurate molecular properties are essential for constructing intermolecular interaction models, and to achieve high accuracy we need to go beyond leading-order (dipolar) terms. This work presents CCSD(T) references for 73 small non-...

Bruno V. von Bruening, A. Misquitta · 0 citations

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