(Q57966595)

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Basis-set extrapolation of the correlation energy

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title

Basis-set extrapolation of the correlation energy (English)

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author name string

A. J. C. Varandas

series ordinal

1

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language of work or name

English

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publication date

22 November 2000

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published in

Journal of Chemical Physics

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volume

113

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issue

20

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page(s)

8880-8887

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cites work

A new semi-empirical method of correcting large-scale configuration interaction calculations for incomplete dynamic correlation of electrons

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Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1319644

retrieved

21 January 2018

Scaling all correlation energy in perturbation theory calculations of bond energies and barrier heights

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Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1319644

retrieved

21 January 2018

Improved general scaling factors and systematic tests of the SAC method for estimating correlation energies of molecules

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Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1319644

retrieved

21 January 2018

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

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Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1319644

retrieved

21 January 2018

Basis-set extrapolation

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https://api.crossref.org/works/10.1063%2F1.1319644

retrieved

21 January 2018

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

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reference URL

https://api.crossref.org/works/10.1063%2F1.1319644

retrieved

21 January 2018

Quadratic configuration interaction. A general technique for determining electron correlation energies

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reference URL

https://api.crossref.org/works/10.1063%2F1.1319644

retrieved

21 January 2018

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

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reference URL

https://api.crossref.org/works/10.1063%2F1.1319644

retrieved

21 January 2018

Benchmark quality total atomization energies of small polyatomic molecules

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Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1319644

retrieved

21 January 2018

Highly accurate calculations of molecular electronic structure

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stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1319644

retrieved

21 January 2018

Basis-set convergence of correlated calculations on water

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stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1319644

retrieved

21 January 2018

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

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1319644

retrieved

21 January 2018

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

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1319644

retrieved

21 January 2018

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DOI

10.1063/1.1319644

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(Q57966595)

Basis-set extrapolation of the correlation energy

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