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

arXiv:2609.24606 · physics.chem-ph, physics.comp-ph, quant-ph · Submitted 2026-09-21 · Read on arXiv

physics.chem-ph, physics.comp-ph, quant-ph

Submitted: 2026-09-21

Updated: 2026-09-21

Code: https://github.com/bruno-von-bruening/higher-ranking_property_data

Terminology

• Core — 49× in this paper · explained in 2 episodes
• Accuracy — 19× in this paper · explained in 1 episode
• Ab Initio — 12× in this paper · explained in 1 episode
• Benchmark — 9× in this paper · explained in 2 episodes
• Benchmarking — 8× in this paper · explained in 3 episodes
• Anisotropy — 2× in this paper · explained in 3 episodes
• Foundation Model — 2× in this paper · explained in 3 episodes
• Trace — 2× in this paper · explained in 2 episodes
• Transferability — 2× in this paper · explained in 4 episodes
• Clustering — 1× in this paper · explained in 2 episodes
• Consistency — 1× in this paper · explained in 3 episodes

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