DOI: 10.1103/physrevlett.49.1691. Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

10.1103/physrevlett.49.1691

Crossref journal-article

American Physical Society (APS)

Physical Review Letters (16)

Bibliography

Perdew, J. P., Parr, R. G., Levy, M., & Balduz, J. L. (1982). Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy. Physical Review Letters, 49(23), 1691â1694.

Authors 4

John P. Perdew (first)
Robert G. Parr (additional)
Mel Levy (additional)
Jose L. Balduz (additional)

References 18 Referenced 2,667

10.1103/PhysRev.136.B864 / Phys. Rev. by P. Hohenberg (1964)
10.1103/PhysRev.140.A1133 / Phys. Rev. by W. Kohn (1965)
10.1002/qua.560210213 / Int. J. Quantum Chem. by M. Levy (1982)
10.1063/1.436185 / J. Chem. Phys. by R. G. Parr (1978)
10.1073/pnas.60.3.786 / Proc. Nat. Acad. Sci. U.S.A. by E. P. Gyftopoulos (1968)
10.1073/pnas.76.12.6062 / Proc. Nat. Acad. Sci. U.S.A. by M. Levy (1979)
10.1063/1.440249 / J. Chem. Phys. by S. M. Valone (1980)
10.1063/1.440656 / J. Chem. Phys. by S. M. Valone (1980)
{'volume-title': 'Proceedings of the Fourth International Congress on Quantum Chemistry', 'author': 'P. Phillips', 'key': 'PhysRevLett.49.1691Cc8R1'} / Proceedings of the Fourth International Congress on Quantum Chemistry by P. Phillips
10.1063/1.1749394 / J. Chem. Phys. by R. S. Mulliken (1934)
10.1098/rspa.1956.0070 / Proc. Roy. Soc. London, Ser. A by H. O. Pritchard (1956)
10.1103/PhysRevB.23.5048 / Phys. Rev. B by J. P. Perdew (1981)
{'key': 'PhysRevLett.49.1691Cc12R1', 'first-page': '626', 'volume': '24', 'author': 'M. Levy', 'year': '1979', 'journal-title': 'Bull. Am. Phys. Soc.'} / Bull. Am. Phys. Soc. by M. Levy (1979)
10.1103/PhysRevB.18.7165 / Phys. Rev. B by J. F. Janak (1978)
10.1063/1.430509 / J. Chem. Phys. by M. M. Morrell (1975)
10.1063/1.432492 / J. Chem. Phys. by M. Levy (1976)
10.1073/pnas.77.8.4403 / Proc. Nat. Acad. Sci. U.S.A. by J. Katriel (1980)
10.1063/1.1671628 / J. Chem. Phys. by H. F. King (1969)

Dates

Type	When
Created	23 years ago (July 27, 2002, 12:03 a.m.)
Deposited	7 months, 2 weeks ago (Jan. 2, 2025, 8:39 p.m.)
Indexed	20 hours, 48 minutes ago (Aug. 21, 2025, 12:53 p.m.)
Issued	42 years, 8 months ago (Dec. 6, 1982)
Published	42 years, 8 months ago (Dec. 6, 1982)
Published Online	42 years, 8 months ago (Dec. 6, 1982)

Funders 0

None

BibTeX

@article{Perdew_1982, title={Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy}, volume={49}, ISSN={0031-9007}, url={http://dx.doi.org/10.1103/physrevlett.49.1691}, DOI={10.1103/physrevlett.49.1691}, number={23}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Perdew, John P. and Parr, Robert G. and Levy, Mel and Balduz, Jose L.}, year={1982}, month=dec, pages={1691–1694} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        21
      ]
    ],
    "date-time": "2025-08-21T16:53:15Z",
    "timestamp": 1755795195827,
    "version": "3.32.0"
  },
  "reference-count": 18,
  "publisher": "American Physical Society (APS)",
  "issue": "23",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            1982,
            12,
            6
          ]
        ],
        "date-time": "1982-12-06T00:00:00Z",
        "timestamp": 407980800000
      },
      "content-version": "vor",
      "delay-in-days": 0,
      "URL": "http://link.aps.org/licenses/aps-default-license"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "DOI": "10.1103/physrevlett.49.1691",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        27
      ]
    ],
    "date-time": "2002-07-27T04:03:31Z",
    "timestamp": 1027742611000
  },
  "page": "1691-1694",
  "source": "Crossref",
  "is-referenced-by-count": 2667,
  "title": "Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy",
  "prefix": "10.1103",
  "volume": "49",
  "author": [
    {
      "given": "John P.",
      "family": "Perdew",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "Robert G.",
      "family": "Parr",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Mel",
      "family": "Levy",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Jose L.",
      "family": "Balduz",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "16",
  "published-online": {
    "date-parts": [
      [
        1982,
        12,
        6
      ]
    ]
  },
  "reference": [
    {
      "key": "PhysRevLett.49.1691Cc1R1",
      "doi-asserted-by": "crossref",
      "first-page": "B864",
      "DOI": "10.1103/PhysRev.136.B864",
      "volume": "136",
      "author": "P. Hohenberg",
      "year": "1964",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "PhysRevLett.49.1691Cc2R1",
      "doi-asserted-by": "crossref",
      "first-page": "A1133",
      "DOI": "10.1103/PhysRev.140.A1133",
      "volume": "140",
      "author": "W. Kohn",
      "year": "1965",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "PhysRevLett.49.1691Cc3R1",
      "doi-asserted-by": "crossref",
      "first-page": "511",
      "DOI": "10.1002/qua.560210213",
      "volume": "21",
      "author": "M. Levy",
      "year": "1982",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "PhysRevLett.49.1691Cc4R1",
      "doi-asserted-by": "crossref",
      "first-page": "3801",
      "DOI": "10.1063/1.436185",
      "volume": "68",
      "author": "R. G. Parr",
      "year": "1978",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "PhysRevLett.49.1691Cc5R1",
      "doi-asserted-by": "crossref",
      "first-page": "786",
      "DOI": "10.1073/pnas.60.3.786",
      "volume": "60",
      "author": "E. P. Gyftopoulos",
      "year": "1968",
      "journal-title": "Proc. Nat. Acad. Sci. U.S.A."
    },
    {
      "key": "PhysRevLett.49.1691Cc6R1",
      "doi-asserted-by": "crossref",
      "first-page": "6062",
      "DOI": "10.1073/pnas.76.12.6062",
      "volume": "76",
      "author": "M. Levy",
      "year": "1979",
      "journal-title": "Proc. Nat. Acad. Sci. U.S.A."
    },
    {
      "key": "PhysRevLett.49.1691Cc7R1",
      "doi-asserted-by": "crossref",
      "first-page": "1344",
      "DOI": "10.1063/1.440249",
      "volume": "73",
      "author": "S. M. Valone",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "PhysRevLett.49.1691Cc7R2",
      "doi-asserted-by": "crossref",
      "first-page": "4653",
      "DOI": "10.1063/1.440656",
      "volume": "73",
      "author": "S. M. Valone",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "volume-title": "Proceedings of the Fourth International Congress on Quantum Chemistry",
      "author": "P. Phillips",
      "key": "PhysRevLett.49.1691Cc8R1"
    },
    {
      "key": "PhysRevLett.49.1691Cc9R1",
      "doi-asserted-by": "crossref",
      "first-page": "782",
      "DOI": "10.1063/1.1749394",
      "volume": "2",
      "author": "R. S. Mulliken",
      "year": "1934",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "PhysRevLett.49.1691Cc10R1",
      "doi-asserted-by": "crossref",
      "first-page": "136",
      "DOI": "10.1098/rspa.1956.0070",
      "volume": "235",
      "author": "H. O. Pritchard",
      "year": "1956",
      "journal-title": "Proc. Roy. Soc. London, Ser. A"
    },
    {
      "key": "PhysRevLett.49.1691Cc11R1",
      "doi-asserted-by": "crossref",
      "first-page": "5048",
      "DOI": "10.1103/PhysRevB.23.5048",
      "volume": "23",
      "author": "J. P. Perdew",
      "year": "1981",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevLett.49.1691Cc12R1",
      "first-page": "626",
      "volume": "24",
      "author": "M. Levy",
      "year": "1979",
      "journal-title": "Bull. Am. Phys. Soc."
    },
    {
      "key": "PhysRevLett.49.1691Cc13R1",
      "doi-asserted-by": "crossref",
      "first-page": "7165",
      "DOI": "10.1103/PhysRevB.18.7165",
      "volume": "18",
      "author": "J. F. Janak",
      "year": "1978",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevLett.49.1691Cc14R1",
      "doi-asserted-by": "crossref",
      "first-page": "549",
      "DOI": "10.1063/1.430509",
      "volume": "62",
      "author": "M. M. Morrell",
      "year": "1975",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "PhysRevLett.49.1691Cc14R2",
      "doi-asserted-by": "crossref",
      "first-page": "2707",
      "DOI": "10.1063/1.432492",
      "volume": "64",
      "author": "M. Levy",
      "year": "1976",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "PhysRevLett.49.1691Cc14R3",
      "doi-asserted-by": "crossref",
      "first-page": "4403",
      "DOI": "10.1073/pnas.77.8.4403",
      "volume": "77",
      "author": "J. Katriel",
      "year": "1980",
      "journal-title": "Proc. Nat. Acad. Sci. U.S.A."
    },
    {
      "key": "PhysRevLett.49.1691Cc15R1",
      "doi-asserted-by": "crossref",
      "first-page": "3789",
      "DOI": "10.1063/1.1671628",
      "volume": "50",
      "author": "H. F. King",
      "year": "1969",
      "journal-title": "J. Chem. Phys."
    }
  ],
  "container-title": "Physical Review Letters",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "http://link.aps.org/article/10.1103/PhysRevLett.49.1691",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.49.1691/fulltext",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2025,
        1,
        3
      ]
    ],
    "date-time": "2025-01-03T01:39:18Z",
    "timestamp": 1735868358000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://link.aps.org/doi/10.1103/PhysRevLett.49.1691"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1982,
        12,
        6
      ]
    ]
  },
  "references-count": 18,
  "journal-issue": {
    "issue": "23",
    "published-print": {
      "date-parts": [
        [
          1982,
          12
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1103/PhysRevLett.49.1691",
  "relation": {},
  "ISSN": [
    "0031-9007"
  ],
  "subject": [],
  "container-title-short": "Phys. Rev. Lett.",
  "published": {
    "date-parts": [
      [
        1982,
        12,
        6
      ]
    ]
  }
}