pith:22RWHUHD
Open-shell Tensor Hypercontraction
Open-shell LS-THC-MP2 and MP3 recover closed-shell accuracy for radicals and bond-breaking without extra spin corrections.
arxiv:2304.04040 v2 · 2023-04-08 · physics.chem-ph
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\usepackage{pith}
\pithnumber{22RWHUHDS2MJOSC576LQAHP3BW}
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Record completeness
Claims
Open-shell LS-THC-MP n methods exhibit errors highly comparable to those produced by closed-shell LS-THC-MP n, and are highly insensitive to particular chemical interactions, geometries, or even to moderate spin contamination.
The assumption that diagrammatic spin summation and least-squares fitting of the amplitude tensor will preserve accuracy for open-shell cases without additional spin-specific corrections or re-optimization of THC factors.
Open-shell LS-THC-MP2 and MP3 deliver scaling reductions with accuracy comparable to closed-shell versions and low sensitivity to geometry or spin contamination.
Receipt and verification
| First computed | 2026-05-17T23:39:21.712024Z |
|---|---|
| Builder | pith-number-builder-2026-05-17-v1 |
| Signature | Pith Ed25519
(pith-v1-2026-05) · public key |
| Schema | pith-number/v1.0 |
Canonical hash
d6a363d0e3969897485dff97001dfb0db990ae5de0f331b9d2fe20be024084f6
Aliases
· · · · ·Agent API
Verify this Pith Number yourself
curl -sH 'Accept: application/ld+json' https://pith.science/pith/22RWHUHDS2MJOSC576LQAHP3BW \
| 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: d6a363d0e3969897485dff97001dfb0db990ae5de0f331b9d2fe20be024084f6
Canonical record JSON
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"primary_cat": "physics.chem-ph",
"submitted_at": "2023-04-08T15:16:49Z",
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