Pith Number

pith:CVS2KMWQ

pith:2026:CVS2KMWQGM3463QWDDB53Y43IE

not attested not anchored not stored refs pending

The effects of dispersion damping and three-body interactions for accurate layered-material exfoliation energies

Adrian F. Rumson, Erin R. Johnson, Kyle R. Bryenton

Adding three-body Axilrod-Teller-Muto terms to XDM dispersion corrections produces the most accurate exfoliation energies yet for layered materials using semi-local functionals.

arxiv:2604.06539 v3 · 2026-04-08 · cond-mat.mtrl-sci · physics.chem-ph

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\pithnumber{CVS2KMWQGM3463QWDDB53Y43IE}

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The bundle contains the canonical record plus signed events. A mirror can host it anywhere and recompute the same current state with the deterministic merge algorithm.

Claims

C1strongest claim

inclusion of three-body interactions via the Axilrod--Teller--Muto (ATM) term further improves the computed exfoliation energies for both XDM(BJ) and XDM(Z), yielding the best performance achieved on LM26 using semi-local functionals to date, relative to reference data from the random-phase approximation.

C2weakest assumption

The LM26 benchmark and RPA reference values are sufficiently accurate and representative to establish that the observed improvements reflect genuine physical correctness rather than benchmark-specific fitting.

C3one line summary

Adding Axilrod-Teller-Muto three-body terms to XDM dispersion corrections with BJ or Z damping yields the best semi-local DFT exfoliation energies on the LM26 benchmark relative to RPA references.

Receipt and verification

First computed	2026-05-22T01:03:19.203402Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

1565a532d03337cf6e1618c3dde39b410a903b5a283a6f89720adc2bfc4f71a7

Aliases

arxiv: 2604.06539 · arxiv_version: 2604.06539v3 · doi: 10.48550/arxiv.2604.06539 · pith_short_12: CVS2KMWQGM34 · pith_short_16: CVS2KMWQGM3463QW · pith_short_8: CVS2KMWQ

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Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/CVS2KMWQGM3463QWDDB53Y43IE \
  | 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: 1565a532d03337cf6e1618c3dde39b410a903b5a283a6f89720adc2bfc4f71a7

Canonical record JSON

{
  "metadata": {
    "abstract_canon_sha256": "323176d7beca68a9f137c1e3290b96071a973c27812347ee3a6d7a547710bc0b",
    "cross_cats_sorted": [
      "physics.chem-ph"
    ],
    "license": "http://creativecommons.org/licenses/by/4.0/",
    "primary_cat": "cond-mat.mtrl-sci",
    "submitted_at": "2026-04-08T00:32:14Z",
    "title_canon_sha256": "6b43d1e0d9f3db419645bc38b67e207d5b805f1be28ad250098cb5ce6dd3d675"
  },
  "schema_version": "1.0",
  "source": {
    "id": "2604.06539",
    "kind": "arxiv",
    "version": 3
  }
}