DOI: 10.1039/b511865d. Assessment of a Coulomb-attenuated exchange

Assessment of a Coulomb-attenuated exchange–correlation energy functional

10.1039/b511865d

Crossref journal-article

Royal Society of Chemistry (RSC)

Phys. Chem. Chem. Phys. (292)

Bibliography

Peach, M. J. G., Helgaker, T., SaÅek, P., Keal, T. W., LutnÃ¦s, O. B., Tozer, D. J., & Handy, N. C. (2006). Assessment of a Coulomb-attenuated exchangeâcorrelation energy functional. Phys. Chem. Chem. Phys., 8(5), 558â562.

Authors 7

Michael J. G. Peach (first)
Trygve Helgaker (additional)
Paweł Sałek (additional)
Thomas W. Keal (additional)
Ola B. Lutnæs (additional)
David J. Tozer (additional)
Nicholas C. Handy (additional)

References 33 Referenced 442

10.1016/j.cplett.2004.06.011 / Chem. Phys. Lett. by Yanai (2004)
10.1063/1.1383587 / J. Chem. Phys. by Ikura (2001)
10.1063/1.1688752 / J. Chem. Phys. by Tawada (2004)
A. Savin , in Recent Developments and Applications of Modern Density Functional Theory, ed. J. M. Seminario, Elsevier, Amsterdam, 1996 / Recent Developments and Applications of Modern Density Functional Theory by Savin (1996)
10.1016/S0009-2614(97)00758-6 / Chem. Phys. Lett. by Leininger (1997)
10.1063/1.1501132 / J. Chem. Phys. by Kamiya (2002)
10.1063/1.1564060 / J. Chem. Phys. by Heyd (2003)
10.1103/PhysRevA.70.062505 / Phys. Rev. A by Toulouse (2004)
10.1103/PhysRevLett.94.043002 / Phys. Rev. Lett. by Baer (2005)
10.1080/00268970412331319236 / Mol. Phys. by Yanai (2005)
10.1080/00268979609484488 / Mol. Phys. by Gill (1996)
10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke (1988)
10.1063/1.464913 / J. Chem. Phys. by Becke (1993)
10.1021/j100096a001 / J. Phys. Chem. by Stephens (1994)
10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee (1988)
10.1139/p80-159 / Can. J. Phys. by Vosko (1980)
10.1063/1.1784777 / J. Chem. Phys. by Keal (2004)
10.1021/jp049908s / J. Phys. Chem. A by Zhao (2004)
10.1016/j.cplett.2004.04.108 / Chem. Phys. Lett. by Keal (2004)
10.1063/1.477711 / J. Chem. Phys. by Tozer (1998)
10.1080/00268979909482888 / Mol. Phys. by Tozer (1999)
10.1063/1.1590951 / J. Chem. Phys. by Dreuw (2003)
10.1063/1.1676139 / J. Chem. Phys. by Dunning Jr. (1971)
10.1063/1.1696113 / J. Chem. Phys. by Huzinaga (1965)
DALTON, a molecular electronic structure program, Release 2.0, 2005, see http://www.kjemi.uio.no/software/dalton/dalton.html
10.1063/1.460205 / J. Chem. Phys. by Curtiss (1991)
10.1063/1.473182 / J. Chem. Phys. by Curtiss (1997)
10.1016/S0009-2614(97)00486-7 / Chem. Phys. Lett. by Skokov (1997)
10.1016/S0009-2614(98)00980-4 / Chem. Phys. Lett. by Filatov (1998)
10.1021/jp000497z / J. Phys. Chem. A by Lynch (2000)
10.1063/1.1633756 / J. Chem. Phys. by Tozer (2003)
10.1063/1.475007 / J. Chem. Phys. by Becke (1997)
10.1016/S0009-2614(97)00651-9 / Chem. Phys. Lett. by Adamo (1997)

Dates

Type	When
Created	19 years, 9 months ago (Nov. 15, 2005, 6:14 a.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 10:22 a.m.)
Indexed	2 minutes ago (Aug. 27, 2025, 3:37 a.m.)
Issued	19 years, 7 months ago (Jan. 1, 2006)
Published	19 years, 7 months ago (Jan. 1, 2006)
Published Online	19 years, 7 months ago (Jan. 1, 2006)

Funders 0

None

BibTeX

@article{Peach_2006, title={Assessment of a Coulomb-attenuated exchange–correlation energy functional}, volume={8}, ISSN={1463-9084}, url={http://dx.doi.org/10.1039/b511865d}, DOI={10.1039/b511865d}, number={5}, journal={Phys. Chem. Chem. Phys.}, publisher={Royal Society of Chemistry (RSC)}, author={Peach, Michael J. G. and Helgaker, Trygve and Sałek, Paweł and Keal, Thomas W. and Lutnæs, Ola B. and Tozer, David J. and Handy, Nicholas C.}, year={2006}, pages={558–562} }

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