DOI: 10.1016/j.cplett.2007.04.020. Local hybrid exchange-correlation functionals based on the dimensionless density gradient

Local hybrid exchange-correlation functionals based on the dimensionless density gradient

10.1016/j.cplett.2007.04.020

Crossref journal-article

Elsevier BV

Chemical Physics Letters (78)

Bibliography

Arbuznikov, A. V., & Kaupp, M. (2007). Local hybrid exchange-correlation functionals based on the dimensionless density gradient. Chemical Physics Letters, 440(1â3), 160â168.

Authors 2

Alexei V. Arbuznikov (first)
Martin Kaupp (additional)

References 35 Referenced 110

10.1063/1.464304 / J. Chem. Phys. by Becke (1993)
10.1063/1.464913 / J. Chem. Phys. by Becke (1993)
10.1017/S0305004100016108 / Proc. Cambridge Philos. Soc. by Dirac (1930)
10.1103/PhysRev.81.385 / Phys. Rev. by Slater (1951)
10.1139/p80-159 / Can. J. Phys. by Vosko (1980)
10.1103/PhysRevB.33.8822 / Phys. Rev. B by Perdew (1986)
10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke (1988)
10.1016/0009-2614(94)01189-3 / Chem. Phys. Lett. by Proynov (1994)
10.1103/PhysRevLett.91.146401 / Phys. Rev. Lett. by Tao (2003)
10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee (1988)
10.1016/0009-2614(89)87234-3 / Chem. Phys. Lett. by Miehlich (1989)
10.1021/j100096a001 / J. Phys. Chem. by Stephens (1994)
10.1063/1.2403848 / J. Chem. Phys. by Mori-Sánchez (2006)
10.1063/1.1774975 / J. Chem. Phys. by Boese (2004)
10.1002/qua.20513 / Int. J. Quantum Chem. by Arbuznikov (2005)
10.1063/1.1528936 / J. Chem. Phys. by Jaramillo (2003)
10.1063/1.2196883 / J. Chem. Phys. by Arbuznikov (2006)
10.1063/1.2429058 / J. Chem. Phys. by Bahmann (2007)
10.1103/PhysRevA.57.2556 / Phys. Rev. A by van Gisbergen (1998)
10.1007/BF01413038 / Z. Phys. A by Gross (1981)
10.1016/j.cplett.2003.10.009 / Chem. Phys. Lett. by Arbuznikov (2003)
10.1063/1.480838 / J. Chem. Phys. by Adamo (2000)
10.1063/1.456415 / J. Chem. Phys. by Pople (1989)
10.1063/1.458892 / J. Chem. Phys. by Curtiss (1990)
10.1063/1.473182 / J. Chem. Phys. by Curtiss (1997)
V.G. Malkin, O.L. Malkina, R. Reviakine, A.V. Arbuznikov, M. Kaupp, B. Schimmelpfennig, I. Malkin, M. Repiský, S. Komorovský, P. Hrobarik, E. Malkin, T. Helgaker, K. Ruud, ReSpect program, version 2.1, 2006.
10.1063/1.456153 / J. Chem. Phys. by Dunning (1989)
10.1063/1.464303 / J. Chem. Phys. by Woon (1993)
10.1103/PhysRevB.45.13244 / Phys. Rev. B by Perdew (1992)
10.1103/PhysRevB.46.6671 / Phys. Rev. B by Perdew (1992)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew (1996)
{'key': '10.1016/j.cplett.2007.04.020_bib32', 'volume': '89449', 'author': 'Partridge', 'year': '1987', 'journal-title': 'NASA Technical Memorandum'} / NASA Technical Memorandum by Partridge (1987)
10.1016/j.cplett.2004.06.011 / Chem. Phys. Lett. by Yanai (2004)
10.1039/B511865D / Phys. Chem. Chem. Phys. by Peach (2006)
10.1063/1.2244560 / J.Chem. Phys. by Vydrov (2006)

Dates

Type	When
Created	18 years, 4 months ago (April 15, 2007, 7:12 a.m.)
Deposited	6 years, 7 months ago (Jan. 8, 2019, 3:26 a.m.)
Indexed	1 month, 1 week ago (July 16, 2025, 8:32 a.m.)
Issued	18 years, 3 months ago (May 1, 2007)
Published	18 years, 3 months ago (May 1, 2007)
Published Print	18 years, 3 months ago (May 1, 2007)

Funders 0

None

BibTeX

@article{Arbuznikov_2007, title={Local hybrid exchange-correlation functionals based on the dimensionless density gradient}, volume={440}, ISSN={0009-2614}, url={http://dx.doi.org/10.1016/j.cplett.2007.04.020}, DOI={10.1016/j.cplett.2007.04.020}, number={1–3}, journal={Chemical Physics Letters}, publisher={Elsevier BV}, author={Arbuznikov, Alexei V. and Kaupp, Martin}, year={2007}, month=may, pages={160–168} }

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      "first-page": "419",
      "DOI": "10.1016/0009-2614(94)01189-3",
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      "author": "Proynov",
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      "first-page": "146401",
      "DOI": "10.1103/PhysRevLett.91.146401",
      "volume": "91",
      "author": "Tao",
      "year": "2003",
      "journal-title": "Phys. Rev. Lett."
    },
    {
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      "first-page": "785",
      "DOI": "10.1103/PhysRevB.37.785",
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      "author": "Lee",
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    {
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      "DOI": "10.1021/j100096a001",
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      "DOI": "10.1063/1.456153",
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      "author": "Partridge",
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      "author": "Yanai",
      "year": "2004",
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      "DOI": "10.1039/B511865D",
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