CITATION.cff

cff-version: 1.2.0
title: Opening the Density Functional Theory Black Box
type: software
authors:
  - given-names: Jacob S.
    family-names: Hirschi
    affiliation: Oregon State University
    email: hirschij@oregonstate.edu
    orcid: 'https://orcid.org/0009-0004-3327-8671'
  - given-names: Dayana
    family-names: Bashirova
    affiliation: Oregon State University
    orcid: 'https://orcid.org/0009-0006-2283-717X'
  - given-names: Tim J.
    family-names: Zuehsldorff
    affiliation: Oregon State University
    orcid: 'https://orcid.org/0000-0002-6960-756X'
identifiers:
  - type: doi
    value: 10.1021/acs.jchemed.3c00535
repository-code: 'https://github.com/tjz21/DFT_PIB_Code'
abstract: >-
  Interactive Jupyter Notebooks for learning the
  fundamentals of Density-Functional Theory (DFT).
keywords:
  - quantum chemistry
  - density-functional theory
  - computational chemistry
  - open educational resource
  - electronic structure
license: MIT
date-released: '2023-10-16'
preferred-citation:
  authors:
  - given-names: Jacob S.
    family-names: Hirschi
    affiliation: Oregon State University
    email: hirschij@oregonstate.edu
    orcid: 'https://orcid.org/0009-0004-3327-8671'
  - given-names: Dayana
    family-names: Bashirova
    affiliation: Oregon State University
    orcid: 'https://orcid.org/0009-0006-2283-717X'
  - given-names: Tim J.
    family-names: Zuehsldorff
    affiliation: Oregon State University
    orcid: 'https://orcid.org/0000-0002-6960-756X'
  date-published: 2023-10-16
  doi: 10.1021/acs.jchemed.3c00535
  issue: 11
  journal: Journal of Chemical Education
  publisher:
    name: American Chemical Society
  start: 4496
  title: "Opening the Density Functional Theory Black 
    Box: A Collection of Pedagogic Jupyter Notebooks"
  type: article
  url: "https://pubs.acs.org/doi/10.1021/acs.jchemed.3c00535"
  volume: 100
title: "Opening the Density Functional Theory Black 
  Box: A Collection of Pedagogic Jupyter Notebooks"