CITATION.cff

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cff-version: 1.2.0
title: QCManyBody
message: >-
  Intermolecular many-body expansion with QCArchive
  integration
type: software
authors:
  - given-names: Asem
    family-names: Alenaizan
    affiliation: >-
      Chemistry Department, King Fahd University of
      Petroleum and Minerals
    orcid: 'https://orcid.org/0000-0002-0871-664X'
  - given-names: "Lori A."
    family-names: Burns
    affiliation: >-
      Center for Computational Molecular Science and
      Technology, Georgia Institute of Technology
    orcid: 'https://orcid.org/0000-0003-2852-5864'
  - given-names: "Benjamin P."
    family-names: Pritchard
    affiliation: The Molecular Sciences Software Institute
    orcid: 'https://orcid.org/0000-0003-2136-0606'
  - given-names: "Daniel G. A."
    family-names: Smith
    affiliation: The Molecular Sciences Software Institute
    orcid: 'https://orcid.org/0000-0001-8626-0900'
identifiers:
  - type: url
    value: 'https://github.com/MolSSI/QCManyBody'
    description: Software Repository
  - type: doi
    value: 10.1063/5.0231843
    description: JCP article
repository-code: 'https://github.com/MolSSI/QCManyBody'
url: 'https://molssi.github.io/QCManyBody/'
repository-artifact: 'https://anaconda.org/conda-forge/qcmanybody/files'
keywords:
  - quantum-chemistry
  - many-body-expansion
  - mbe
  - schema
license: BSD-3-Clause
version: 0.4.0
date-released: '2025-01-16'
preferred-citation:
  type: article
  authors:
  - family-names: "Lori A."
    given-names: "Burns"
    orcid: "https://orcid.org/0000-0003-2852-5864"
  - family-names: "C. David"
    given-names: "Sherrill"
    orcid: "https://orcid.org/0000-0002-5570-7666"
  - family-names: "Benjamin P."
    given-names: "Pritchard"
    orcid: "https://orcid.org/0000-0003-2136-0606"
  doi: "10.1063/5.0231843"
  journal: "The Journal of Chemical Physics"
  month: 10
  start: 152501
  title: "QCManyBody: A flexible implementation of the many-body expansion"
  issue: 15
  volume: 161
  year: 2024