Pith Number

pith:G53P7HQ2

pith:2026:G53P7HQ2HUKWY4NBRDPMETS4QF

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Low-Scaling Many-Body Green's Function Calculations for Molecular Systems via Interacting-Bath Dynamical Embedding Theory

Christian Venturella, Jiachen Li, Tianyu Zhu

Interacting-bath dynamical embedding assembles accurate molecular Green's functions from small frequency-dependent baths solved independently.

arxiv:2604.03137 v2 · 2026-04-03 · physics.chem-ph · physics.comp-ph

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Claims

C1strongest claim

ibDET provides accurate spectral properties with much reduced cost for a broad range of systems, including conjugated molecules and nanoclusters. Compared with full-system results, the errors in the predicted ionization potentials and electron affinities are around 0.1 eV or smaller, while each embedding problem includes only a small fraction of the total orbital space.

C2weakest assumption

That the frequency-dependent bath representations constructed from atom-centered impurities, when solved independently and assembled, faithfully reproduce the full-system self-energy without significant truncation errors from the chosen cluster size or natural-orbital selection.

C3one line summary

ibDET assembles the full molecular Green's function from multiple small interacting-bath embedding calculations, delivering spectral properties with ~0.1 eV accuracy at far lower cost than full-system methods.

Formal links

2 machine-checked theorem links

Cited by

1 paper in Pith

Resolving Finite-Size Errors in EOM-CCSD Band Gaps of Solids with Interacting-Bath Dynamical Embedding Theory

Receipt and verification

First computed	2026-06-19T16:10:37.168734Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

3776ff9e1a3d156c71a188dec24e5c815a82d0a9746234ce7e957052fa573402

Aliases

arxiv: 2604.03137 · arxiv_version: 2604.03137v2 · doi: 10.48550/arxiv.2604.03137 · pith_short_12: G53P7HQ2HUKW · pith_short_16: G53P7HQ2HUKWY4NB · pith_short_8: G53P7HQ2

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Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/G53P7HQ2HUKWY4NBRDPMETS4QF \
  | 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: 3776ff9e1a3d156c71a188dec24e5c815a82d0a9746234ce7e957052fa573402

Canonical record JSON

{
  "metadata": {
    "abstract_canon_sha256": "b2fec90e234e98db62b095964785a624d6a7b2361289941c33bfa3ac0bfe1d33",
    "cross_cats_sorted": [
      "physics.comp-ph"
    ],
    "license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
    "primary_cat": "physics.chem-ph",
    "submitted_at": "2026-04-03T15:57:32Z",
    "title_canon_sha256": "9aea1f3512a9ee838994c59b299b7a583021ef46dc88d77d2e516bd4aaf66748"
  },
  "schema_version": "1.0",
  "source": {
    "id": "2604.03137",
    "kind": "arxiv",
    "version": 2
  }
}