Pith Number

pith:4C7TFEXM

pith:2026:4C7TFEXMDPGQLWX27WFSPJZFXT

not attested not anchored not stored refs resolved

Chemical Origins of Non-Bonded Interactions Within and Between Solids

Adam Rettig, Anton Z. Ni, Hieu Q. Dinh, Joonho Lee, Paul J. Robinson

A generalization of ALMO-EDA to solids decomposes non-bonded interactions into frozen, polarization, and charge transfer contributions.

arxiv:2605.15381 v1 · 2026-05-14 · cond-mat.mtrl-sci · physics.chem-ph

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\usepackage{pith}
\pithnumber{4C7TFEXMDPGQLWX27WFSPJZFXT}

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Record completeness

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3 Author claim open · sign in to claim

4 Citations open

5 Replications open

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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

Across molecular crystals, moiré heterobilayers, and layered perovskite heterostructures, this framework separates lattice-formation energies, interlayer binding energies, and band-structure changes into chemically intuitive contributions from frozen interactions, polarization, and charge transfer.

C2weakest assumption

The generalization of ALMO-EDA to periodic boundary conditions at the DFT level preserves chemical interpretability and does not introduce artifacts that would invalidate the separation into frozen, polarization, and charge-transfer terms for the studied solid systems.

C3one line summary

The work generalizes ALMO-EDA to periodic solids at the DFT level, decomposing lattice and interlayer energies into chemically intuitive frozen, polarization, and charge transfer contributions across molecular crystals, moiré heterobilayers, and layered perovskites.

References

69 extracted · 69 resolved · 0 Pith anchors

[1] Stone, Anthony , month = jan, year =. The

[2] WIREs Computational Molecular Science , author = 2020 · doi:10.1002/wcms.1452

[3] Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory , volume = · doi:10.1039/c0cp02206c

[4] The Journal of Chemical Physics , author = 2017 · doi:10.1063/1.4978951

[5] and Das, Akshaya and Demerdash, Omar and Levine, Daniel S · doi:10.1146/annurev-physchem-090419-115149

Formal links

2 machine-checked theorem links

Receipt and verification

First computed	2026-05-20T00:00:55.536374Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

e0bf3292ec1bcd05dafafd8b27a725bcea65b9c93e85e1ea57dddb6318456c4e

Aliases

arxiv: 2605.15381 · arxiv_version: 2605.15381v1 · doi: 10.48550/arxiv.2605.15381 · pith_short_12: 4C7TFEXMDPGQ · pith_short_16: 4C7TFEXMDPGQLWX2 · pith_short_8: 4C7TFEXM

Agent API

Resolver JSON Graph JSON Events JSON Schema Signing key

Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/4C7TFEXMDPGQLWX27WFSPJZFXT \
  | 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: e0bf3292ec1bcd05dafafd8b27a725bcea65b9c93e85e1ea57dddb6318456c4e

Canonical record JSON

{
  "metadata": {
    "abstract_canon_sha256": "d9968e68858b30beafc1da311290a15f2fe91bb0ab4d479348e500fb3ec50116",
    "cross_cats_sorted": [
      "physics.chem-ph"
    ],
    "license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
    "primary_cat": "cond-mat.mtrl-sci",
    "submitted_at": "2026-05-14T20:11:11Z",
    "title_canon_sha256": "f4725fe30a0239e86ca114666fc7094192a5653e66951f216c9c3444968f3a75"
  },
  "schema_version": "1.0",
  "source": {
    "id": "2605.15381",
    "kind": "arxiv",
    "version": 1
  }
}