DOI: 10.1021/ct800149y. Assessment of a Middle-Range Hybrid Functional

Assessment of a Middle-Range Hybrid Functional

10.1021/ct800149y

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Henderson, T. M., Izmaylov, A. F., Scuseria, G. E., & Savin, A. (2008). Assessment of a Middle-Range Hybrid Functional. Journal of Chemical Theory and Computation, 4(8), 1254â1262.

Authors 4

Thomas M. Henderson (first)
Artur F. Izmaylov (additional)
Gustavo E. Scuseria (additional)
Andreas Savin (additional)

References 56 Referenced 161

{'key': 'ref1/cit1', '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)
{'key': 'ref2/cit2', 'volume-title': 'Density Functional Theory', 'author': 'Dreizler R. M.', 'year': '1995'} / Density Functional Theory by Dreizler R. M. (1995)
10.1016/B978-044451719-7/50067-6 / Theory and Applications of Computational Chemistry: The First 40 Years by Scuseria G. E. (2005)
10.1103/PhysRevLett.78.1396 / Phys. Rev. Lett. by Perdew J. P. (1997)
10.1103/PhysRevLett.91.146401 / Phys. Rev. Lett. by Tao J. (2003)
10.1063/1.464304 / J. Chem. Phys. by Becke A. D. (1993)
10.1063/1.464913 / J. Chem. Phys. by Becke A. D. (1993)
10.1021/j100096a001 / J. Phys. Chem. by Stephens P. J. (1994)
10.1063/1.478401 / J. Chem. Phys. by Ernzerhof M. (1999)
10.1063/1.478522 / J. Chem. Phys. by Adamo C. (1999)
10.1103/PhysRevB.20.1504 / Phys. Rev. B by Monkhorst H. J. (1979)
{'key': 'ref12/cit12', 'volume-title': 'Recent Developments and Applications of Modern Density Functional Theory', 'volume': '327', 'author': 'Savin A.', 'year': '1996'} / Recent Developments and Applications of Modern Density Functional Theory by Savin A. (1996)
10.1016/S0009-2614(97)00758-6 / Chem. Phys. Lett. by Leininger T. (1997)
10.1016/j.cplett.2005.08.060 / Chem. Phys. Lett. by Gerber I. C. (2005)
10.1063/1.2759209 / J. Chem. Phys. by Gerber I. C. (2007)
10.1063/1.1564060 / J. Chem. Phys. by Heyd J. (2003)
10.1063/1.1668634 / J. Chem. Phys. by Heyd J. (2004)
10.1063/1.1760074 / J. Chem. Phys. by Heyd J. (2004)
10.1063/1.2347713 / J. Chem. Phys. by Izmaylov A. F. (2006)
10.1063/1.2409292 / J. Chem. Phys. by Vydrov O. A. (2006)
10.1063/1.2822021 / J. Chem. Phys. by Henderson T. M. (2007)
10.1063/1.476928 / J. Chem. Phys. by Ernzerhof M. (1998)
10.1021/jp035287b / J. Phys. Chem. A by Lynch B. J. (2003)
10.1103/PhysRevB.53.3764 / Phys. Rev. B by Seidl A. (1996)
{'key': 'ref25/cit25', 'volume-title': 'Gaussian Development Version', 'author': 'Frisch M. J.', 'year': '2006'} / Gaussian Development Version by Frisch M. J. (2006)
10.1021/ct600109x / J. Chem. Theory Comput. by Brothers E. N. (2006)
10.1103/PhysRevA.47.3649 / Phys. Rev. A by Chakravorty S. J. (1993)
10.1063/1.473182 / J. Chem. Phys. by Curtiss L. A. (1997)
10.1063/1.481336 / J. Chem. Phys. by Curtiss L. A. (2000)
10.1063/1.1321305 / J. Chem. Phys. by Curtiss L. A. (2001)
{'key': 'ref31/cit31', 'author': 'Janesko B. G.', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Janesko B. G.
10.1039/b416937a / Phys. Chem. Chem. Phys. by Zhao Y. (2004)
10.1021/jp061040d / J. Phys. Chem. A by Zhao Y. (2006)
10.1063/1.2955460 / J. Chem. Phys. by Brothers E. N. (2008)
See theSupporting Information.
10.1063/1.2085170 / J. Chem. Phys. by Heyd J. (2005)
10.1063/1.2953701 / J. Chem. Phys. by Izmaylov A. F. (2008)
10.1063/1.476538 / J. Chem. Phys. by Curtiss L. A. (1998)
10.1063/1.1795692 / J. Chem. Phys. by Staroverov V. N. (2004)
10.1063/1.1626543 / J. Chem. Phys. by Staroverov V. N. (2003)
10.1007/BF01127101 / Theor. Chim. Acta by Sadlej A. J. (1991)
10.1021/jp066479k / J. Phys. Chem. A by Zhao Y. (2006)
10.1063/1.1674078 / J. Chem. Phys. by Schaad L. J. (1970)
10.1063/1.1891685 / J. Chem. Phys. by Xie J. (2005)
10.1063/1.1621618 / J. Chem. Phys. by Wüest A. (2004)
10.1063/1.1383587 / J. Chem. Phys. by Iikura H. (2001)
10.1080/00268970500083994 / Mol. Phys. by Sekino H. (2005)
10.1103/PhysRevLett.88.186401 / Phys. Rev. Lett. by van Faassen M. (2002)
10.1063/1.2404667 / J. Chem. Phys. by Izmaylov A. F. (2006)
10.1063/1.1315999 / J. Chem. Phys. by Kudin K. N. (2000)
10.1063/1.1414369 / J. Chem. Phys. by Ayala P. Y. (2001)
{'key': 'ref52/cit52', 'author': 'Ruzsinksky A.', 'journal-title': 'Phys. Rev. A'} / Phys. Rev. A by Ruzsinksky A.
10.1063/1.1528936 / J. Chem. Phys. by Jaramillo J. (2003)
10.1063/1.2784406 / J. Chem. Phys. by Janesko B. G. (2007)
10.1063/1.2795700 / J. Chem. Phys. by Arbuznikov A. V. (2007)
10.1063/1.2831556 / J. Chem. Phys. by Janesko B. G. (2008)

Dates

Type	When
Created	17 years ago (Aug. 12, 2008, 2 a.m.)
Deposited	2 years, 5 months ago (March 7, 2023, 2:11 p.m.)
Indexed	2 weeks, 2 days ago (Aug. 7, 2025, 5:01 p.m.)
Issued	17 years ago (Aug. 1, 2008)
Published	17 years ago (Aug. 1, 2008)
Published Online	17 years ago (Aug. 12, 2008)
Published Print	17 years ago (Aug. 1, 2008)

Funders 0

None

BibTeX

@article{Henderson_2008, title={Assessment of a Middle-Range Hybrid Functional}, volume={4}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct800149y}, DOI={10.1021/ct800149y}, number={8}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Henderson, Thomas M. and Izmaylov, Artur F. and Scuseria, Gustavo E. and Savin, Andreas}, year={2008}, month=aug, pages={1254–1262} }

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      "year": "2005"
    },
    {
      "key": "ref4/cit4",
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      "first-page": "1396",
      "DOI": "10.1103/PhysRevLett.78.1396",
      "volume": "78",
      "author": "Perdew J. P.",
      "year": "1997",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref5/cit5",
      "doi-asserted-by": "crossref",
      "first-page": "146401",
      "DOI": "10.1103/PhysRevLett.91.146401",
      "volume": "91",
      "author": "Tao J.",
      "year": "2003",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref6/cit6",
      "doi-asserted-by": "crossref",
      "first-page": "1372",
      "DOI": "10.1063/1.464304",
      "volume": "98",
      "author": "Becke A. D.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref7/cit7",
      "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": "ref8/cit8",
      "doi-asserted-by": "crossref",
      "first-page": "11623",
      "DOI": "10.1021/j100096a001",
      "volume": "98",
      "author": "Stephens P. J.",
      "year": "1994",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "ref9/cit9",
      "doi-asserted-by": "crossref",
      "first-page": "5029",
      "DOI": "10.1063/1.478401",
      "volume": "110",
      "author": "Ernzerhof M.",
      "year": "1999",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref10/cit10",
      "doi-asserted-by": "crossref",
      "first-page": "6158",
      "DOI": "10.1063/1.478522",
      "volume": "110",
      "author": "Adamo C.",
      "year": "1999",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref11/cit11",
      "doi-asserted-by": "crossref",
      "first-page": "1504",
      "DOI": "10.1103/PhysRevB.20.1504",
      "volume": "20",
      "author": "Monkhorst H. J.",
      "year": "1979",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref12/cit12",
      "volume-title": "Recent Developments and Applications of Modern Density Functional Theory",
      "volume": "327",
      "author": "Savin A.",
      "year": "1996"
    },
    {
      "key": "ref13/cit13",
      "doi-asserted-by": "crossref",
      "first-page": "151",
      "DOI": "10.1016/S0009-2614(97)00758-6",
      "volume": "275",
      "author": "Leininger T.",
      "year": "1997",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref14/cit14",
      "doi-asserted-by": "crossref",
      "first-page": "100",
      "DOI": "10.1016/j.cplett.2005.08.060",
      "volume": "415",
      "author": "Gerber I. C.",
      "year": "2005",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref15/cit15",
      "doi-asserted-by": "crossref",
      "first-page": "054101",
      "DOI": "10.1063/1.2759209",
      "volume": "127",
      "author": "Gerber I. C.",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref16/cit16",
      "doi-asserted-by": "crossref",
      "first-page": "8207",
      "DOI": "10.1063/1.1564060",
      "volume": "118",
      "author": "Heyd J.",
      "year": "2003",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref17/cit17",
      "doi-asserted-by": "crossref",
      "first-page": "7274",
      "DOI": "10.1063/1.1668634",
      "volume": "120",
      "author": "Heyd J.",
      "year": "2004",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref18/cit18",
      "doi-asserted-by": "crossref",
      "first-page": "1187",
      "DOI": "10.1063/1.1760074",
      "volume": "121",
      "author": "Heyd J.",
      "year": "2004",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref19/cit19",
      "doi-asserted-by": "crossref",
      "first-page": "104103",
      "DOI": "10.1063/1.2347713",
      "volume": "125",
      "author": "Izmaylov A. F.",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref20/cit20",
      "doi-asserted-by": "crossref",
      "first-page": "234109",
      "DOI": "10.1063/1.2409292",
      "volume": "125",
      "author": "Vydrov O. A.",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref21/cit21",
      "doi-asserted-by": "crossref",
      "first-page": "221103",
      "DOI": "10.1063/1.2822021",
      "volume": "127",
      "author": "Henderson T. M.",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref22/cit22",
      "doi-asserted-by": "crossref",
      "first-page": "3313",
      "DOI": "10.1063/1.476928",
      "volume": "109",
      "author": "Ernzerhof M.",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref23/cit23",
      "doi-asserted-by": "crossref",
      "first-page": "8996",
      "DOI": "10.1021/jp035287b",
      "volume": "107",
      "author": "Lynch B. J.",
      "year": "2003",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref24/cit24",
      "doi-asserted-by": "crossref",
      "first-page": "3764",
      "DOI": "10.1103/PhysRevB.53.3764",
      "volume": "53",
      "author": "Seidl A.",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref25/cit25",
      "volume-title": "Gaussian Development Version",
      "author": "Frisch M. J.",
      "year": "2006"
    },
    {
      "key": "ref26/cit26",
      "doi-asserted-by": "crossref",
      "first-page": "1045",
      "DOI": "10.1021/ct600109x",
      "volume": "4",
      "author": "Brothers E. N.",
      "year": "2006",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "ref27/cit27",
      "doi-asserted-by": "crossref",
      "first-page": "3649",
      "DOI": "10.1103/PhysRevA.47.3649",
      "volume": "47",
      "author": "Chakravorty S. J.",
      "year": "1993",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "ref28/cit28",
      "doi-asserted-by": "crossref",
      "first-page": "1063",
      "DOI": "10.1063/1.473182",
      "volume": "106",
      "author": "Curtiss L. A.",
      "year": "1997",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref29/cit29",
      "doi-asserted-by": "crossref",
      "first-page": "7374",
      "DOI": "10.1063/1.481336",
      "volume": "112",
      "author": "Curtiss L. A.",
      "year": "2000",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref30/cit30",
      "doi-asserted-by": "crossref",
      "first-page": "108",
      "DOI": "10.1063/1.1321305",
      "volume": "114",
      "author": "Curtiss L. A.",
      "year": "2001",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref31/cit31",
      "author": "Janesko B. G.",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref32/cit32",
      "doi-asserted-by": "crossref",
      "first-page": "43",
      "DOI": "10.1039/b416937a",
      "volume": "7",
      "author": "Zhao Y.",
      "year": "2004",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref33/cit33",
      "doi-asserted-by": "crossref",
      "first-page": "4942",
      "DOI": "10.1021/jp061040d",
      "volume": "110",
      "author": "Zhao Y.",
      "year": "2006",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref34/cit34",
      "doi-asserted-by": "crossref",
      "first-page": "011102",
      "DOI": "10.1063/1.2955460",
      "volume": "129",
      "author": "Brothers E. N.",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref35/cit35",
      "unstructured": "See theSupporting Information."
    },
    {
      "key": "ref36/cit36",
      "doi-asserted-by": "crossref",
      "first-page": "174101",
      "DOI": "10.1063/1.2085170",
      "volume": "123",
      "author": "Heyd J.",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref37/cit37",
      "doi-asserted-by": "crossref",
      "first-page": "034101",
      "DOI": "10.1063/1.2953701",
      "volume": "129",
      "author": "Izmaylov A. F.",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref38/cit38",
      "doi-asserted-by": "crossref",
      "first-page": "42",
      "DOI": "10.1063/1.476538",
      "volume": "109",
      "author": "Curtiss L. A.",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref39/cit39",
      "doi-asserted-by": "crossref",
      "first-page": "11507",
      "DOI": "10.1063/1.1795692",
      "volume": "121",
      "author": "Staroverov V. N.",
      "year": "2004",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref40/cit40",
      "doi-asserted-by": "crossref",
      "first-page": "12129",
      "DOI": "10.1063/1.1626543",
      "volume": "119",
      "author": "Staroverov V. N.",
      "year": "2003",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref41/cit41",
      "doi-asserted-by": "crossref",
      "first-page": "123",
      "DOI": "10.1007/BF01127101",
      "volume": "79",
      "author": "Sadlej A. J.",
      "year": "1991",
      "journal-title": "Theor. Chim. Acta"
    },
    {
      "key": "ref42/cit42",
      "doi-asserted-by": "crossref",
      "first-page": "13126",
      "DOI": "10.1021/jp066479k",
      "volume": "110",
      "author": "Zhao Y.",
      "year": "2006",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref43/cit43",
      "doi-asserted-by": "crossref",
      "first-page": "851",
      "DOI": "10.1063/1.1674078",
      "volume": "53",
      "author": "Schaad L. J.",
      "year": "1970",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref44/cit44",
      "doi-asserted-by": "crossref",
      "first-page": "184310",
      "DOI": "10.1063/1.1891685",
      "volume": "122",
      "author": "Xie J.",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref45/cit45",
      "doi-asserted-by": "crossref",
      "first-page": "638",
      "DOI": "10.1063/1.1621618",
      "volume": "210",
      "author": "W\u00fcest A.",
      "year": "2004",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref46/cit46",
      "doi-asserted-by": "crossref",
      "first-page": "3540",
      "DOI": "10.1063/1.1383587",
      "volume": "115",
      "author": "Iikura H.",
      "year": "2001",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref47/cit47",
      "doi-asserted-by": "crossref",
      "first-page": "2183",
      "DOI": "10.1080/00268970500083994",
      "volume": "103",
      "author": "Sekino H.",
      "year": "2005",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "ref48/cit48",
      "doi-asserted-by": "crossref",
      "first-page": "186401",
      "DOI": "10.1103/PhysRevLett.88.186401",
      "volume": "88",
      "author": "van Faassen M.",
      "year": "2002",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref49/cit49",
      "doi-asserted-by": "crossref",
      "first-page": "224105",
      "DOI": "10.1063/1.2404667",
      "volume": "125",
      "author": "Izmaylov A. F.",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref50/cit50",
      "doi-asserted-by": "crossref",
      "first-page": "7779",
      "DOI": "10.1063/1.1315999",
      "volume": "113",
      "author": "Kudin K. N.",
      "year": "2000",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref51/cit51",
      "doi-asserted-by": "crossref",
      "first-page": "9698",
      "DOI": "10.1063/1.1414369",
      "volume": "115",
      "author": "Ayala P. Y.",
      "year": "2001",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref52/cit52",
      "author": "Ruzsinksky A.",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "ref53/cit53",
      "doi-asserted-by": "crossref",
      "first-page": "1068",
      "DOI": "10.1063/1.1528936",
      "volume": "118",
      "author": "Jaramillo J.",
      "year": "2003",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref54/cit54",
      "doi-asserted-by": "crossref",
      "first-page": "164117",
      "DOI": "10.1063/1.2784406",
      "volume": "127",
      "author": "Janesko B. G.",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
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      "first-page": "194102",
      "DOI": "10.1063/1.2795700",
      "volume": "127",
      "author": "Arbuznikov A. V.",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
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      "first-page": "084111",
      "DOI": "10.1063/1.2831556",
      "volume": "128",
      "author": "Janesko B. G.",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
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