Pith Number

pith:YHGYHTXP

pith:2026:YHGYHTXP65DGHWQLADQITYX4TN

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Metadensity functional learning for classical fluids: Regularizing with pair correlations

Florian Samm\"uller, Matthias Schmidt, Stefanie M. Kampa

Metadensity functional dependence on the pair potential gives direct access to fluid pair correlations without Ornstein-Zernike inversion.

arxiv:2603.11973 v2 · 2026-03-12 · cond-mat.soft

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Claims

C1strongest claim

Accessing the pair structure via the metadensity functional dependence circumvents Ornstein-Zernike inversion and it is based on first principles.

C2weakest assumption

That comparing pair structures from metadirect functional differentiation against test-particle data from an initial locally trained metadensity functional provides effective regularization without introducing inconsistencies or requiring further fitting.

C3one line summary

Metadensity functionals are regularized by matching pair structures from metadirect differentiation and test-particle routes to enable first-principles access to bulk correlations in classical fluids.

References

101 extracted · 101 resolved · 0 Pith anchors

[1] J. P. Hansen and I. R. McDonald,Theory of Simple Liquids, 4th ed. (Academic Press, London, 2013) 2013

[2] Evans, The nature of the liquid-vapour interface and other topics in the statistical mechanics of non-uniform, classical fluids, Adv 1979

[3] Evans, Density functionals in the theory of nonuni- form fluids, Chap 1992

[4] R. Evans, M. Oettel, R. Roth, and G. Kahl, New devel- opments in classical density functional theory, J. Phys.: Condens. Matter28, 240401 (2016) 2016

[5] B. Huang, G. F. von Rudorff, O. A. von Lilienfeld, The central role of density functional theory in the AI age, Science381, 170 (2023) 2023

Cited by

2 papers in Pith

Quantum statistical mechanics: Gauge invariance, operator shifting, hyperdensity functionals, and nonequilibrium sum rules

Approximate additivity in the solvent-mediated potential of mean force for ultrasoft particle systems

Receipt and verification

First computed	2026-06-23T03:13:56.078106Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

c1cd83ceeff74663da0b00e089e2fc9b5f0c6a83657a7a2ad54936dcf67c23b8

Aliases

arxiv: 2603.11973 · arxiv_version: 2603.11973v2 · doi: 10.48550/arxiv.2603.11973 · pith_short_12: YHGYHTXP65DG · pith_short_16: YHGYHTXP65DGHWQL · pith_short_8: YHGYHTXP

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Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/YHGYHTXP65DGHWQLADQITYX4TN \
  | 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: c1cd83ceeff74663da0b00e089e2fc9b5f0c6a83657a7a2ad54936dcf67c23b8

Canonical record JSON

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    "abstract_canon_sha256": "88e9199df5a295099da7bee4af74b0a1d69d7d8b43e973864ea5fc2285bfa5cb",
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    "license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
    "primary_cat": "cond-mat.soft",
    "submitted_at": "2026-03-12T14:23:53Z",
    "title_canon_sha256": "1c12a53debc2df0c08ce904a9b4627998faf2c51cb9ffaa113730b61e9b5789c"
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}