DOI: 10.1016/s0009-2614(99)01419-0. The basis set convergence of the density functional energy for H2

The basis set convergence of the density functional energy for H2

10.1016/s0009-2614(99)01419-0

Crossref journal-article

Elsevier BV

Chemical Physics Letters (78)

Bibliography

Christensen, K. A., & Jensen, F. (2000). The basis set convergence of the density functional energy for H2. Chemical Physics Letters, 317(3â5), 400â403.

Authors 2

Kim Aa Christensen (first)
Frank Jensen (additional)

References 12 Referenced 22

R.G. Parr, W. Yang, Density Functional Theory, Oxford University Press, Oxford, 1989.
F. Jensen, Introduction to Computational Chemistry, Wiley, New York, 1998.
10.1063/1.457869 / J. Chem. Phys. by Becke (1992)
10.1063/1.478567 / J. Chem. Phys. by Jensen (1999)
F. Jensen, submitted.
M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, gaussian 94, Gaussian, Inc., Pittsburgh, PA, 1995.
10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke (1988)
10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee (1988)
10.1063/1.464913 / J. Chem. Phys. by Becke (1993)
F. Jensen, submitted.
10.1139/p80-159 / Can. J. Phys. by Vosko (1980)
10.1103/PhysRevB.46.6671 / Phys. Rev. B by Perdew (1992)

Dates

Type	When
Created	23 years, 1 month ago (July 25, 2002, 9:05 a.m.)
Deposited	6 years, 7 months ago (Dec. 27, 2018, 1:08 p.m.)
Indexed	3 months, 3 weeks ago (May 3, 2025, 6:43 p.m.)
Issued	25 years, 6 months ago (Feb. 1, 2000)
Published	25 years, 6 months ago (Feb. 1, 2000)
Published Print	25 years, 6 months ago (Feb. 1, 2000)

Funders 0

None

BibTeX

@article{Christensen_2000, title={The basis set convergence of the density functional energy for H2}, volume={317}, ISSN={0009-2614}, url={http://dx.doi.org/10.1016/s0009-2614(99)01419-0}, DOI={10.1016/s0009-2614(99)01419-0}, number={3–5}, journal={Chemical Physics Letters}, publisher={Elsevier BV}, author={Christensen, Kim Aa and Jensen, Frank}, year={2000}, month=feb, pages={400–403} }

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