(Q60495103)

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

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

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2

Trygve Helgaker

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Wim Klopper

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Wim Klopper

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4

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Poul Jørgensen

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3

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Poul Jørgensen

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author name string

Asger Halkier

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1

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Jeppe Olsen

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5

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publication date

March 1999

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published in

Chemical Physics Letters

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volume

302

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issue

5-6

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page(s)

437-446

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cites work

Ab initio total atomization energies of small molecules — towards the basis set limit

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7 January 2021

Benchmark quality total atomization energies of small polyatomic molecules

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7 January 2021

Basis-set convergence of correlated calculations on water

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https://api.crossref.org/works/10.1016%2FS0009-2614%2899%2900179-7

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7 January 2021

First-order one-electron properties in the integral-direct coupled cluster singles and doubles model

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7 January 2021

Basis-set convergence in correlated calculations on Ne, N2, and H2O

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7 January 2021

Basis-set extrapolation

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7 January 2021

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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https://api.crossref.org/works/10.1016%2FS0009-2614%2899%2900179-7

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7 January 2021

Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon

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https://api.crossref.org/works/10.1016%2FS0009-2614%2899%2900179-7

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7 January 2021

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10.1016/S0009-2614(99)00179-7

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(Q60495103)

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

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