DOI: 10.1021/jp960669l. Density Functional Theory of Electronic Structure

Density Functional Theory of Electronic Structure

10.1021/jp960669l

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry (316)

Bibliography

Kohn, W., Becke, A. D., & Parr, R. G. (1996). Density Functional Theory of Electronic Structure. The Journal of Physical Chemistry, 100(31), 12974â12980.

Authors 3

W. Kohn (first)
A. D. Becke (additional)
R. G. Parr (additional)

References 73 Referenced 2,896

{'key': 'jp960669lb00001/jp960669lb00001_1', 'volume-title': 'Density Functional Theory of Atoms and Molecules', 'author': 'Parr R. G.', 'year': '1989'} / Density Functional Theory of Atoms and Molecules by Parr R. G. (1989)
10.1007/978-3-642-86105-5 / Density Functional Theory by Dreizler R. M. (1990)
10.1103/PhysRev.136.B864 / Phys. Rev. B by Hohenberg P. (1964)
10.1073/pnas.76.12.6062 / Proc. Natl. Acad. Sci. U.S.A. by An (1979)
10.1103/PhysRev.140.A1133 / J. Phys. Rev. A by Kohn W. (1965)
10.1146/annurev.pc.46.100195.003413 / Annu. Rev. Phys. Chem. (1995)
{'key': 'jp960669lb00008/jp960669lb00008_1', 'first-page': '1', 'volume': '6', 'author': 'Reviewed', 'year': '1972', 'journal-title': 'Adv. Quantum Chem.'} / Adv. Quantum Chem. by Reviewed (1972)
{'key': 'jp960669lb00009/jp960669lb00009_1', 'volume-title': 'Quantum Chem. Symp. 1978', 'author': 'Baerends E. J.', 'year': '1979'} / Quantum Chem. Symp. 1978 by Baerends E. J. (1979)
10.1103/PhysRevA.33.2786 / Phys. Rev. A by Becke A. D. (1986)
10.1063/1.460208 / J. Chem. Phys. by Density Functional Methods (1991)
10.1063/1.464906 / J. Chem. Phys. by Johnson B. G. (1993)
{'key': 'jp960669lb00013/jp960669lb00013_1', 'volume-title': 'Phys. Rev. B 1984, 30, 2223 and references therein. Herman, F.; Van Dyke, J. P.; Ortenburger, I. B. Phys. Rev. Lett. 1969, 22, 807; Int. J. Quantum Chem., Quantum Chem. Symp.', 'author': 'Sham L. J.', 'year': '1970'} / Phys. Rev. B 1984, 30, 2223 and references therein. Herman, F.; Van Dyke, J. P.; Ortenburger, I. B. Phys. Rev. Lett. 1969, 22, 807; Int. J. Quantum Chem., Quantum Chem. Symp. by Sham L. J. (1970)
10.1002/qua.560270507 / Int. J. Quantum Chem. by Becke A. D. (1985)
10.1063/1.450025 / J. Chem. Phys. by Becke A. D. (1986)
10.1021/cr00005a001 / Chem. Rev. (1991)
10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke A. D. (1988)
10.1103/PhysRevLett.55.1665 / Phys. Rev. Lett. by Perdew J. P. (1985)
10.1063/1.462066 / J. Chem. Phys. by Becke A. D. (1992)
10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee C. (1988)
10.1063/1.445899 / J. Chem. Phys. by Colle R. (1983)
10.1103/PhysRevB.33.8822 / Phys. Rev. B by Perdew J. P. (1986)
{'key': 'jp960669lb00023/jp960669lb00023_1', 'volume-title': 'Electronic Structure of Solids', 'author': 'Perdew J. P.', 'year': '1991'} / Electronic Structure of Solids by Perdew J. P. (1991)
10.1021/ja00037a055 / J. Am. Chem. Soc. by Sim F. (1992)
10.1016/0009-2614(94)01027-7 / Chem. Phys. Lett. by Kristyan S. (1994)
10.1021/ja00053a027 / J. Am. Chem. Soc. by Fan L. (1992)
10.1063/1.468728 / J. Chem. Phys. by Baker J. (1995)
10.1103/PhysRevLett.55.2471 / Phys. Rev. Lett. by Car R. (1985)
10.1103/RevModPhys.64.1045 / Rev. Mod. Phys. by Payne M. C. (1992)
10.1007/BF00551551 / J. Theor. Chim. Acta by Ziegler T. (1977)
10.1002/qua.560520414 / Int. J. Quantum Chem. by Daul C. (1994)
10.1103/PhysRevA.37.2809 / Phys. Rev. A by Gross E. K. U. (1988)
10.1021/ja00092a046 / J. Am. Chem. Soc. by Malkin V. G. (1994)
10.1063/1.464913 / J. Chem. Phys. by Becke A. D. (1993)
10.1088/0305-4608/4/8/013 / J. Phys. F by Harris J. (1974)
{'key': 'jp960669lb00036/jp960669lb00036_1', 'volume-title': 'Modern Electronic Structure Theory', 'author': 'Becke A.', 'year': '1995'} / Modern Electronic Structure Theory by Becke A. (1995)
10.1016/0009-2614(93)80125-9 / Chem. Phys. Lett. by Gill P. M. W. (1993)
10.1021/j100238a023 / J. Phys. Chem. by Parr R. G. (1983)
10.1063/1.436185 / J. Chem. Phys. by Parr R. G. (1978)
10.1073/pnas.60.3.786 / Proc. Natl. Acad. Sci. U.S.A. by Gyftopoulos E. P. (1965)
10.1021/ja00275a013 / J. Am. Chem. Soc. by Mortier W. (1986)
10.1021/ja00364a005 / J. Am. Chem. Soc. by Parr R. G. (1983)
10.1073/pnas.82.20.6723 / Proc. Natl. Acad. Sci. U.S.A. by Yang W. (1985)
10.1063/1.452296 / J. Chem. Phys. by Politzer P. J. (1987)
10.1021/ja00905a001 / J. Am. Chem. Soc. by Pearson R. G. (1963)
10.1021/ed064p561 / J. Chem. Educ. by Pearson R. G. (1987)
10.1103/PhysRev.137.A1441 / Phys. Rev. by Mermin N. D. (1965)
10.1021/ja00005a073 / J. Am. Chem. Soc. by Chattaraj P. K. (1991)
10.1021/ja00005a072 / J. Am. Chem. Soc. by Parr R. G. (1991)
10.1021/j100118a003 / J. Phys. Chem. by Parr R. G. (1993)
10.1016/0009-2614(95)00280-H / Chem. Phys. Lett. by Chattaraj P. K. (1995)
10.1146/annurev.pc.46.100195.003413 / Annu. Rev. Phys. Chem. by Parr R. G. (1995)
10.1016/S0065-3276(08)60326-3 / Adv. Quantum Chem. by Bader R. F. W. (1981)
10.1021/ja00326a036 / J. Am. Chem. Soc. by Parr R. G. (1984)
10.1103/PhysRevLett.49.1691 / Phys. Rev. Lett. by Perdew J. P. (1982)
10.1063/1.470284 / J. Chem. Phys. by Chattaraj P. K. (1995)
10.1002/ijch.199100045 / Isr. J. Chem. by Harbola M. K. (1991)
10.1063/1.470165 / J. Chem. Phys. by Baekelandt B. G. (1995)
10.1021/j100106a001 / J. Phys. Chem. by Galvan M. (1993)
10.1063/1.468026 / J. Chem. Phys. by Cohen M. H. (1994)
10.1063/1.454034 / J. Chem. Phys. by Berkowitz M. (1988)
10.1016/0009-2614(90)87220-L / Chem. Phys. Lett. by Ghosh S. K. (1990)
10.1063/1.470238 / J. Chem. Phys. by Cohen M. H. (1995)
10.1515/zna-1988-0109 / Z. Naturforsch. by Nalewajski R. F. (1988)
10.1002/(SICI)1097-461X(1996)57:3<423::AID-QUA15>3.0.CO;2-4 / Int. J. Quantum Chem. by Tachibana A. (1996)
10.1103/PhysRevLett.51.1884 / Phys. Rev. Lett. by Perdew J. P. (1983)
10.1103/PhysRevLett.51.1888 / Phys. Rev. Lett. by Sham L. J. (1983)
10.1002/qua.560410402 / Int. J. Quantum Chem. by Tachibana A. (1992)
10.1063/1.466016 / J. Chem. Phys. by Cioslowski J. (1993)
{'key': 'jp960669lb00070/jp960669lb00070_1', 'volume-title': 'Electron Density Theory of Many-Electron Systems', 'author': 'March N. H.', 'year': '1991'} / Electron Density Theory of Many-Electron Systems by March N. H. (1991)
{'key': 'jp960669lb00071/jp960669lb00071_1', 'volume-title': 'Functional Theory', 'author': 'Gross E. K. U.', 'year': '1993'} / Functional Theory by Gross E. K. U. (1993)
10.1103/PhysRevA.47.105 / Phys. Rev. B by Gorling A. (1993)
10.1103/PhysRevA.50.2138 / Phys. Rev. A by Zhao Q. (1994)
10.1103/PhysRevA.52.1870 / J. Phys. Rev. A by Gritsenko O. V. (1995)

Dates

Type	When
Created	23 years ago (July 26, 2002, 12:44 a.m.)
Deposited	3 years, 11 months ago (Sept. 20, 2021, 8:09 p.m.)
Indexed	52 minutes ago (Aug. 21, 2025, 6:38 a.m.)
Issued	29 years, 7 months ago (Jan. 1, 1996)
Published	29 years, 7 months ago (Jan. 1, 1996)
Published Online	29 years ago (Aug. 1, 1996)
Published Print	29 years, 7 months ago (Jan. 1, 1996)

Funders 0

None

BibTeX

@article{Kohn_1996, title={Density Functional Theory of Electronic Structure}, volume={100}, ISSN={1541-5740}, url={http://dx.doi.org/10.1021/jp960669l}, DOI={10.1021/jp960669l}, number={31}, journal={The Journal of Physical Chemistry}, publisher={American Chemical Society (ACS)}, author={Kohn, W. and Becke, A. D. and Parr, R. G.}, year={1996}, month=jan, pages={12974–12980} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        21
      ]
    ],
    "date-time": "2025-08-21T10:38:48Z",
    "timestamp": 1755772728150
  },
  "reference-count": 73,
  "publisher": "American Chemical Society (ACS)",
  "issue": "31",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1996,
        1,
        1
      ]
    ]
  },
  "DOI": "10.1021/jp960669l",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T04:44:02Z",
    "timestamp": 1027658642000
  },
  "page": "12974-12980",
  "source": "Crossref",
  "is-referenced-by-count": 2896,
  "title": "Density Functional Theory of Electronic Structure",
  "prefix": "10.1021",
  "volume": "100",
  "author": [
    {
      "given": "W.",
      "family": "Kohn",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Physics, University of California, Santa Barbara, Santa Barbara, California 93106"
        }
      ]
    },
    {
      "given": "A. D.",
      "family": "Becke",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Physics, University of California, Santa Barbara, Santa Barbara, California 93106"
        }
      ]
    },
    {
      "given": "R. G.",
      "family": "Parr",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Physics, University of California, Santa Barbara, Santa Barbara, California 93106"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        1996,
        8,
        1
      ]
    ]
  },
  "reference": [
    {
      "key": "jp960669lb00001/jp960669lb00001_1",
      "volume-title": "Density Functional Theory of Atoms and Molecules",
      "author": "Parr R. G.",
      "year": "1989"
    },
    {
      "key": "jp960669lb00002/jp960669lb00002_1",
      "doi-asserted-by": "crossref",
      "DOI": "10.1007/978-3-642-86105-5",
      "volume-title": "Density Functional Theory",
      "author": "Dreizler R. M.",
      "year": "1990"
    },
    {
      "key": "jp960669lb00003/jp960669lb00003_1",
      "doi-asserted-by": "crossref",
      "first-page": "864",
      "DOI": "10.1103/PhysRev.136.B864",
      "volume": "136",
      "author": "Hohenberg P.",
      "year": "1964",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp960669lb00004/jp960669lb00004_1",
      "doi-asserted-by": "crossref",
      "first-page": "6062",
      "DOI": "10.1073/pnas.76.12.6062",
      "volume": "76",
      "author": "An",
      "year": "1979",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "jp960669lb00005/jp960669lb00005_1",
      "doi-asserted-by": "crossref",
      "first-page": "1133",
      "DOI": "10.1103/PhysRev.140.A1133",
      "volume": "140",
      "author": "Kohn W.",
      "year": "1965",
      "journal-title": "J. Phys. Rev. A"
    },
    {
      "key": "jp960669lb00007/jp960669lb00007_1",
      "doi-asserted-by": "crossref",
      "first-page": "701",
      "DOI": "10.1146/annurev.pc.46.100195.003413",
      "volume": "46",
      "year": "1995",
      "journal-title": "Annu. Rev. Phys. Chem."
    },
    {
      "key": "jp960669lb00008/jp960669lb00008_1",
      "first-page": "1",
      "volume": "6",
      "author": "Reviewed",
      "year": "1972",
      "journal-title": "Adv. Quantum Chem."
    },
    {
      "key": "jp960669lb00009/jp960669lb00009_1",
      "volume-title": "Quantum Chem. Symp. 1978",
      "author": "Baerends E. J.",
      "year": "1979"
    },
    {
      "key": "jp960669lb00010/jp960669lb00010_1",
      "doi-asserted-by": "crossref",
      "first-page": "2786",
      "DOI": "10.1103/PhysRevA.33.2786",
      "volume": "33",
      "author": "Becke A. D.",
      "year": "1986",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "jp960669lb00011/jp960669lb00011_1",
      "doi-asserted-by": "crossref",
      "first-page": "7245",
      "DOI": "10.1063/1.460208",
      "volume": "94",
      "author": "Density Functional Methods",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00012/jp960669lb00012_1",
      "doi-asserted-by": "crossref",
      "first-page": "5612",
      "DOI": "10.1063/1.464906",
      "volume": "98",
      "author": "Johnson B. G.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00013/jp960669lb00013_1",
      "volume-title": "Phys. Rev. B 1984, 30, 2223 and references therein. Herman, F.; Van Dyke, J. P.; Ortenburger, I. B. Phys. Rev. Lett. 1969, 22, 807; Int. J. Quantum Chem., Quantum Chem. Symp.",
      "author": "Sham L. J.",
      "year": "1970"
    },
    {
      "key": "jp960669lb00014/jp960669lb00014_1",
      "doi-asserted-by": "crossref",
      "first-page": "585",
      "DOI": "10.1002/qua.560270507",
      "volume": "27",
      "author": "Becke A. D.",
      "year": "1985",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "jp960669lb00015/jp960669lb00015_1",
      "doi-asserted-by": "crossref",
      "first-page": "4524",
      "DOI": "10.1063/1.450025",
      "volume": "84",
      "author": "Becke A. D.",
      "year": "1986",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00016/jp960669lb00016_1",
      "doi-asserted-by": "crossref",
      "first-page": "651",
      "DOI": "10.1021/cr00005a001",
      "volume": "91",
      "year": "1991",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "jp960669lb00017/jp960669lb00017_1",
      "doi-asserted-by": "crossref",
      "first-page": "3098",
      "DOI": "10.1103/PhysRevA.38.3098",
      "volume": "38",
      "author": "Becke A. D.",
      "year": "1988",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "jp960669lb00018/jp960669lb00018_1",
      "doi-asserted-by": "crossref",
      "first-page": "1665",
      "DOI": "10.1103/PhysRevLett.55.1665",
      "volume": "55",
      "author": "Perdew J. P.",
      "year": "1985",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp960669lb00019/jp960669lb00019_1",
      "doi-asserted-by": "crossref",
      "first-page": "2155",
      "DOI": "10.1063/1.462066",
      "volume": "96",
      "author": "Becke A. D.",
      "year": "1992",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00020/jp960669lb00020_1",
      "doi-asserted-by": "crossref",
      "first-page": "785",
      "DOI": "10.1103/PhysRevB.37.785",
      "volume": "37",
      "author": "Lee C.",
      "year": "1988",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp960669lb00021/jp960669lb00021_1",
      "doi-asserted-by": "crossref",
      "first-page": "1404",
      "DOI": "10.1063/1.445899",
      "volume": "79",
      "author": "Colle R.",
      "year": "1983",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00022/jp960669lb00022_1",
      "doi-asserted-by": "crossref",
      "first-page": "8822",
      "DOI": "10.1103/PhysRevB.33.8822",
      "volume": "33",
      "author": "Perdew J. P.",
      "year": "1986",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp960669lb00023/jp960669lb00023_1",
      "volume-title": "Electronic Structure of Solids",
      "author": "Perdew J. P.",
      "year": "1991"
    },
    {
      "key": "jp960669lb00024/jp960669lb00024_1",
      "doi-asserted-by": "crossref",
      "first-page": "4391",
      "DOI": "10.1021/ja00037a055",
      "volume": "114",
      "author": "Sim F.",
      "year": "1992",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp960669lb00025/jp960669lb00025_1",
      "doi-asserted-by": "crossref",
      "first-page": "175",
      "DOI": "10.1016/0009-2614(94)01027-7",
      "volume": "229",
      "author": "Kristyan S.",
      "year": "1994",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp960669lb00026/jp960669lb00026_1",
      "doi-asserted-by": "crossref",
      "first-page": "10890",
      "DOI": "10.1021/ja00053a027",
      "volume": "114",
      "author": "Fan L.",
      "year": "1992",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp960669lb00027/jp960669lb00027_1",
      "doi-asserted-by": "crossref",
      "first-page": "2063",
      "DOI": "10.1063/1.468728",
      "volume": "102",
      "author": "Baker J.",
      "year": "1995",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00028/jp960669lb00028_1",
      "doi-asserted-by": "crossref",
      "first-page": "2471",
      "DOI": "10.1103/PhysRevLett.55.2471",
      "volume": "55",
      "author": "Car R.",
      "year": "1985",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp960669lb00029/jp960669lb00029_1",
      "doi-asserted-by": "crossref",
      "first-page": "1045",
      "DOI": "10.1103/RevModPhys.64.1045",
      "volume": "64",
      "author": "Payne M. C.",
      "year": "1992",
      "journal-title": "Rev. Mod. Phys."
    },
    {
      "key": "jp960669lb00030/jp960669lb00030_1",
      "doi-asserted-by": "crossref",
      "first-page": "261",
      "DOI": "10.1007/BF00551551",
      "volume": "43",
      "author": "Ziegler T.",
      "year": "1977",
      "journal-title": "J. Theor. Chim. Acta"
    },
    {
      "key": "jp960669lb00031/jp960669lb00031_1",
      "doi-asserted-by": "crossref",
      "first-page": "867",
      "DOI": "10.1002/qua.560520414",
      "volume": "52",
      "author": "Daul C.",
      "year": "1994",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "jp960669lb00032/jp960669lb00032_1",
      "doi-asserted-by": "crossref",
      "first-page": "2809",
      "DOI": "10.1103/PhysRevA.37.2809",
      "volume": "37",
      "author": "Gross E. K. U.",
      "year": "1988",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "jp960669lb00033/jp960669lb00033_1",
      "doi-asserted-by": "crossref",
      "first-page": "5898",
      "DOI": "10.1021/ja00092a046",
      "volume": "116",
      "author": "Malkin V. G.",
      "year": "1994",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp960669lb00034/jp960669lb00034_1",
      "doi-asserted-by": "crossref",
      "first-page": "5648",
      "DOI": "10.1063/1.464913",
      "volume": "98",
      "author": "Becke A. D.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00035/jp960669lb00035_1",
      "doi-asserted-by": "crossref",
      "first-page": "1170",
      "DOI": "10.1088/0305-4608/4/8/013",
      "volume": "4",
      "author": "Harris J.",
      "year": "1974",
      "journal-title": "J. Phys. F"
    },
    {
      "key": "jp960669lb00036/jp960669lb00036_1",
      "volume-title": "Modern Electronic Structure Theory",
      "author": "Becke A.",
      "year": "1995"
    },
    {
      "key": "jp960669lb00037/jp960669lb00037_1",
      "doi-asserted-by": "crossref",
      "first-page": "506",
      "DOI": "10.1016/0009-2614(93)80125-9",
      "volume": "209",
      "author": "Gill P. M. W.",
      "year": "1993",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp960669lb00038/jp960669lb00038_1",
      "doi-asserted-by": "crossref",
      "first-page": "2810",
      "DOI": "10.1021/j100238a023",
      "volume": "87",
      "author": "Parr R. G.",
      "year": "1983",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp960669lb00039/jp960669lb00039_1",
      "doi-asserted-by": "crossref",
      "first-page": "3801",
      "DOI": "10.1063/1.436185",
      "volume": "68",
      "author": "Parr R. G.",
      "year": "1978",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00040/jp960669lb00040_1",
      "doi-asserted-by": "crossref",
      "first-page": "786",
      "DOI": "10.1073/pnas.60.3.786",
      "volume": "60",
      "author": "Gyftopoulos E. P.",
      "year": "1965",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "jp960669lb00041/jp960669lb00041_1",
      "doi-asserted-by": "crossref",
      "first-page": "4315",
      "DOI": "10.1021/ja00275a013",
      "volume": "108",
      "author": "Mortier W.",
      "year": "1986",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp960669lb00042/jp960669lb00042_1",
      "doi-asserted-by": "crossref",
      "first-page": "7512",
      "DOI": "10.1021/ja00364a005",
      "volume": "105",
      "author": "Parr R. G.",
      "year": "1983",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp960669lb00043/jp960669lb00043_1",
      "doi-asserted-by": "crossref",
      "first-page": "6723",
      "DOI": "10.1073/pnas.82.20.6723",
      "volume": "82",
      "author": "Yang W.",
      "year": "1985",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "jp960669lb00044/jp960669lb00044_1",
      "doi-asserted-by": "crossref",
      "first-page": "1072",
      "DOI": "10.1063/1.452296",
      "volume": "86",
      "author": "Politzer P. J.",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00045/jp960669lb00045_1",
      "doi-asserted-by": "crossref",
      "first-page": "3533",
      "DOI": "10.1021/ja00905a001",
      "volume": "85",
      "author": "Pearson R. G.",
      "year": "1963",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp960669lb00046/jp960669lb00046_1",
      "doi-asserted-by": "crossref",
      "first-page": "561",
      "DOI": "10.1021/ed064p561",
      "volume": "64",
      "author": "Pearson R. G.",
      "year": "1987",
      "journal-title": "J. Chem. Educ."
    },
    {
      "key": "jp960669lb00047/jp960669lb00047_1",
      "doi-asserted-by": "crossref",
      "first-page": "A1441",
      "DOI": "10.1103/PhysRev.137.A1441",
      "volume": "137",
      "author": "Mermin N. D.",
      "year": "1965",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "jp960669lb00048/jp960669lb00048_1",
      "doi-asserted-by": "crossref",
      "first-page": "1855",
      "DOI": "10.1021/ja00005a073",
      "volume": "113",
      "author": "Chattaraj P. K.",
      "year": "1991",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp960669lb00049/jp960669lb00049_1",
      "doi-asserted-by": "crossref",
      "first-page": "1854",
      "DOI": "10.1021/ja00005a072",
      "volume": "113",
      "author": "Parr R. G.",
      "year": "1991",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp960669lb00050/jp960669lb00050_1",
      "doi-asserted-by": "crossref",
      "first-page": "3939",
      "DOI": "10.1021/j100118a003",
      "volume": "97",
      "author": "Parr R. G.",
      "year": "1993",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp960669lb00051/jp960669lb00051_1",
      "doi-asserted-by": "crossref",
      "first-page": "171",
      "DOI": "10.1016/0009-2614(95)00280-H",
      "volume": "237",
      "author": "Chattaraj P. K.",
      "year": "1995",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp960669lb00052/jp960669lb00052_1",
      "doi-asserted-by": "crossref",
      "first-page": "701",
      "DOI": "10.1146/annurev.pc.46.100195.003413",
      "volume": "46",
      "author": "Parr R. G.",
      "year": "1995",
      "journal-title": "Annu. Rev. Phys. Chem."
    },
    {
      "key": "jp960669lb00053/jp960669lb00053_1",
      "doi-asserted-by": "crossref",
      "first-page": "63",
      "DOI": "10.1016/S0065-3276(08)60326-3",
      "volume": "14",
      "author": "Bader R. F. W.",
      "year": "1981",
      "journal-title": "Adv. Quantum Chem."
    },
    {
      "key": "jp960669lb00054/jp960669lb00054_1",
      "doi-asserted-by": "crossref",
      "first-page": "4049",
      "DOI": "10.1021/ja00326a036",
      "volume": "106",
      "author": "Parr R. G.",
      "year": "1984",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp960669lb00055/jp960669lb00055_1",
      "doi-asserted-by": "crossref",
      "first-page": "1691",
      "DOI": "10.1103/PhysRevLett.49.1691",
      "volume": "49",
      "author": "Perdew J. P.",
      "year": "1982",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp960669lb00056/jp960669lb00056_1",
      "doi-asserted-by": "crossref",
      "first-page": "7645",
      "DOI": "10.1063/1.470284",
      "volume": "103",
      "author": "Chattaraj P. K.",
      "year": "1995",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00057/jp960669lb00057_1",
      "doi-asserted-by": "crossref",
      "first-page": "395",
      "DOI": "10.1002/ijch.199100045",
      "volume": "31",
      "author": "Harbola M. K.",
      "year": "1991",
      "journal-title": "Isr. J. Chem."
    },
    {
      "key": "jp960669lb00058/jp960669lb00058_1",
      "doi-asserted-by": "crossref",
      "first-page": "8548",
      "DOI": "10.1063/1.470165",
      "volume": "103",
      "author": "Baekelandt B. G.",
      "year": "1995",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00059/jp960669lb00059_1",
      "doi-asserted-by": "crossref",
      "first-page": "783",
      "DOI": "10.1021/j100106a001",
      "volume": "97",
      "author": "Galvan M.",
      "year": "1993",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp960669lb00060/jp960669lb00060_1",
      "doi-asserted-by": "crossref",
      "first-page": "8988",
      "DOI": "10.1063/1.468026",
      "volume": "101",
      "author": "Cohen M. H.",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00061/jp960669lb00061_1",
      "doi-asserted-by": "crossref",
      "first-page": "2554",
      "DOI": "10.1063/1.454034",
      "volume": "88",
      "author": "Berkowitz M.",
      "year": "1988",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00062/jp960669lb00062_1",
      "doi-asserted-by": "crossref",
      "first-page": "77",
      "DOI": "10.1016/0009-2614(90)87220-L",
      "volume": "172",
      "author": "Ghosh S. K.",
      "year": "1990",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp960669lb00063/jp960669lb00063_1",
      "doi-asserted-by": "crossref",
      "first-page": "3543",
      "DOI": "10.1063/1.470238",
      "volume": "103",
      "author": "Cohen M. H.",
      "year": "1995",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00064/jp960669lb00064_1",
      "doi-asserted-by": "crossref",
      "first-page": "65",
      "DOI": "10.1515/zna-1988-0109",
      "volume": "43",
      "author": "Nalewajski R. F.",
      "year": "1988",
      "journal-title": "Z. Naturforsch."
    },
    {
      "key": "jp960669lb00065/jp960669lb00065_1",
      "doi-asserted-by": "crossref",
      "first-page": "423",
      "DOI": "10.1002/(SICI)1097-461X(1996)57:3<423::AID-QUA15>3.0.CO;2-4",
      "volume": "57",
      "author": "Tachibana A.",
      "year": "1996",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "jp960669lb00066/jp960669lb00066_1",
      "doi-asserted-by": "crossref",
      "first-page": "1884",
      "DOI": "10.1103/PhysRevLett.51.1884",
      "volume": "51",
      "author": "Perdew J. P.",
      "year": "1983",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp960669lb00067/jp960669lb00067_1",
      "doi-asserted-by": "crossref",
      "first-page": "1888",
      "DOI": "10.1103/PhysRevLett.51.1888",
      "volume": "51",
      "author": "Sham L. J.",
      "year": "1983",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp960669lb00068/jp960669lb00068_1",
      "doi-asserted-by": "crossref",
      "first-page": "527",
      "DOI": "10.1002/qua.560410402",
      "volume": "41",
      "author": "Tachibana A.",
      "year": "1992",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "jp960669lb00069/jp960669lb00069_1",
      "doi-asserted-by": "crossref",
      "first-page": "5151",
      "DOI": "10.1063/1.466016",
      "volume": "99",
      "author": "Cioslowski J.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp960669lb00070/jp960669lb00070_1",
      "volume-title": "Electron Density Theory of Many-Electron Systems",
      "author": "March N. H.",
      "year": "1991"
    },
    {
      "key": "jp960669lb00071/jp960669lb00071_1",
      "volume-title": "Functional Theory",
      "author": "Gross E. K. U.",
      "year": "1993"
    },
    {
      "key": "jp960669lb00072/jp960669lb00072_1",
      "doi-asserted-by": "crossref",
      "first-page": "105",
      "DOI": "10.1103/PhysRevA.47.105",
      "volume": "47",
      "author": "Gorling A.",
      "year": "1993",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp960669lb00073/jp960669lb00073_1",
      "doi-asserted-by": "crossref",
      "first-page": "2138",
      "DOI": "10.1103/PhysRevA.50.2138",
      "volume": "50",
      "author": "Zhao Q.",
      "year": "1994",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "jp960669lb00074/jp960669lb00074_1",
      "doi-asserted-by": "crossref",
      "first-page": "1870",
      "DOI": "10.1103/PhysRevA.52.1870",
      "volume": "52",
      "author": "Gritsenko O. V.",
      "year": "1995",
      "journal-title": "J. Phys. Rev. A"
    }
  ],
  "container-title": "The Journal of Physical Chemistry",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/jp960669l",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        9,
        21
      ]
    ],
    "date-time": "2021-09-21T00:09:38Z",
    "timestamp": 1632182978000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jp960669l"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1996,
        1,
        1
      ]
    ]
  },
  "references-count": 73,
  "journal-issue": {
    "issue": "31",
    "published-print": {
      "date-parts": [
        [
          1996,
          1,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jp960669l"
  ],
  "URL": "http://dx.doi.org/10.1021/jp960669l",
  "relation": {},
  "ISSN": [
    "0022-3654",
    "1541-5740"
  ],
  "subject": [],
  "container-title-short": "J. Phys. Chem.",
  "published": {
    "date-parts": [
      [
        1996,
        1,
        1
      ]
    ]
  }
}