pith:AEZJBBXT
Random phase approximation-based local natural orbital coupled cluster theory
RPA replaces MP2 as low-level theory in LNO-CC to match accuracy on gapped systems while converging faster for metals.
arxiv:2601.00131 v2 · 2025-12-31 · physics.chem-ph · cond-mat.mtrl-sci
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\pithnumber{AEZJBBXTM6PZPDIIXFP7KUDQQR}
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Record completeness
Claims
RPA-based LNO-CC closely matches the performance of its MP2-based counterpart for systems with sizable energy gaps, while delivering significantly faster convergence toward the canonical coupled-cluster limit for metallic systems, particularly as the thermodynamic limit is approached.
That RPA adequately captures long-range electrostatic and correlation effects outside the embedding region when used as the low-level theory in the LNO-CC framework.
RPA-based LNO-CC matches MP2 performance for systems with energy gaps and shows faster convergence for metallic systems approaching the thermodynamic limit.
Formal links
Receipt and verification
| First computed | 2026-05-18T02:44:32.004822Z |
|---|---|
| Builder | pith-number-builder-2026-05-17-v1 |
| Signature | Pith Ed25519
(pith-v1-2026-05) · public key |
| Schema | pith-number/v1.0 |
Canonical hash
01329086f3679f978d08b95ff55070847d986c532158c5e0f5697724c846ea3f
Aliases
· · · · ·Agent API
Verify this Pith Number yourself
curl -sH 'Accept: application/ld+json' https://pith.science/pith/AEZJBBXTM6PZPDIIXFP7KUDQQR \
| 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: 01329086f3679f978d08b95ff55070847d986c532158c5e0f5697724c846ea3f
Canonical record JSON
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"license": "http://creativecommons.org/licenses/by/4.0/",
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