pith:7OGSCD5L
Shannon and R\'enyi entropies of molecular densities: insights into extensivity and the incomplete description of electron correlation
Electron-density entropies fail to capture static correlation and often violate extensivity.
arxiv:2604.18081 v1 · 2026-04-20 · quant-ph · physics.chem-ph
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Claims
electron-density-based measures are insufficient for capturing static correlation, suggesting that robust entropic descriptors should be constructed from higher-dimensional Hilbert-space objects.
The Mulliken-like atomic partition combined with the infinite-separation asymptotic analysis correctly isolates and quantifies static correlation and extensivity properties of the underlying wavefunction.
Shannon and Rényi entropies from molecular electron densities fail to encode static correlation and violate extensivity, indicating density-based descriptors are insufficient.
References
Receipt and verification
| First computed | 2026-05-21T01:05:19.293004Z |
|---|---|
| Builder | pith-number-builder-2026-05-17-v1 |
| Signature | Pith Ed25519
(pith-v1-2026-05) · public key |
| Schema | pith-number/v1.0 |
Canonical hash
fb8d210fab2d047e48d0bb145a439dc522fa2c2dc1bc7699024c08710449cce4
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· · · · ·Agent API
Verify this Pith Number yourself
curl -sH 'Accept: application/ld+json' https://pith.science/pith/7OGSCD5LFUCH4SGQXMKFUQ45YU \
| jq -c '.canonical_record' \
| python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
# expect: fb8d210fab2d047e48d0bb145a439dc522fa2c2dc1bc7699024c08710449cce4
Canonical record JSON
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