DOI: 10.1016/s0009-2614(99)00179-7. Basis-set convergence of the energy in molecular Hartree

Basis-set convergence of the energy in molecular Hartree–Fock calculations

10.1016/s0009-2614(99)00179-7

Crossref journal-article

Elsevier BV

Chemical Physics Letters (78)

Bibliography

Halkier, A., Helgaker, T., JÃ¸rgensen, P., Klopper, W., & Olsen, J. (1999). Basis-set convergence of the energy in molecular HartreeâFock calculations. Chemical Physics Letters, 302(5â6), 437â446.

Authors 5

Asger Halkier (first)
Trygve Helgaker (additional)
Poul Jørgensen (additional)
Wim Klopper (additional)
Jeppe Olsen (additional)

References 25 Referenced 637

10.1063/1.442208 / J. Chem. Phys. by Nyden (1981)
10.1063/1.449725 / J. Chem. Phys. by Petersson (1985)
10.1063/1.462652 / J. Chem. Phys. by Feller (1992)
10.1063/1.464749 / J. Chem. Phys. by Feller (1993)
10.1063/1.469351 / J. Chem. Phys. by Klopper (1995)
10.1016/0009-2614(96)00898-6 / Chem. Phys. Lett. by Martin (1996)
10.1063/1.473918 / J. Chem. Phys. by Martin (1997)
10.1063/1.473863 / J. Chem. Phys. by Helgaker (1997)
10.1063/1.474384 / J. Chem. Phys. by Halkier (1997)
10.1016/S0009-2614(98)00111-0 / Chem. Phys. Lett. by Halkier (1998)
10.1016/S0009-2614(98)00866-5 / Chem. Phys. Lett. by Truhlar (1998)
10.1063/1.456153 / J. Chem. Phys. by Dunning (1989)
10.1016/S0166-1280(96)80048-0 / J. Mol. Struct. (THEOCHEM) by Wilson (1996)
10.1063/1.449481 / J. Chem. Phys. by Hill (1985)
10.1002/qua.560230127 / Int. J. Quantum Chem. by Laaksonen (1983)
10.1080/00268978500103131 / Mol. Phys. by Sundholm (1985)
10.1080/00268978700100391 / Mol. Phys. by Pyykkö (1987)
J. Kobus, private communication.
10.1080/00268977200102361 / Mol. Phys. by Hoy (1972)
10.1080/00268977400102501 / Mol. Phys. by Duncan (1974)
T. Helgaker, H.J.A. Jensen, P. Jørgensen, J. Olsen, K. Ruud, H. Ågren, T. Andersen, K.L. Bak, V. Bakken, O. Christiansen, P. Dahle, E.K. Dalskov, T. Enevoldsen, B. Fernandez, H. Heiberg, H. Hettema, D. Jonsson, S. Kirpekar, R. Kobayashi, H. Koch, K.V. Mikkelsen, P. Norman, M.J. Packer, T. Saue, P.R. Taylor, O. Vahtras, DALTON, an ab initio electronic structure program, release 1.0, 1997. See http://www.kjemi.uio.no/software/dalton/dalton.html.
LUCAS, an atomic program written by J. Olsen, D. Sundholm, Lund.
P. Jørgensen, T. Helgaker, J. Olsen, Lecture Notes from the Fifth Sostrup Summer School on Quantum Chemistry and Molecular Properties, 1998.
C.F. Fischer, The Hartree–Fock Method for Atoms. A Numerical Approach, Wiley, New York, 1977.
10.1088/0953-4075/29/24/009 / J. Phys. B by Moncrieff (1996)

Dates

Type	When
Created	23 years ago (July 25, 2002, 8:04 a.m.)
Deposited	6 years, 3 months ago (April 30, 2019, 11:21 p.m.)
Indexed	1 week, 3 days ago (Aug. 12, 2025, 5:49 p.m.)
Issued	26 years, 5 months ago (March 1, 1999)
Published	26 years, 5 months ago (March 1, 1999)
Published Print	26 years, 5 months ago (March 1, 1999)

Funders 0

None

BibTeX

@article{Halkier_1999, title={Basis-set convergence of the energy in molecular Hartree–Fock calculations}, volume={302}, ISSN={0009-2614}, url={http://dx.doi.org/10.1016/s0009-2614(99)00179-7}, DOI={10.1016/s0009-2614(99)00179-7}, number={5–6}, journal={Chemical Physics Letters}, publisher={Elsevier BV}, author={Halkier, Asger and Helgaker, Trygve and Jørgensen, Poul and Klopper, Wim and Olsen, Jeppe}, year={1999}, month=mar, pages={437–446} }

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