Approaching the Hartree-Fock limit by perturbative methods

Jia Deng; Andrew T.B. Gilbert; Peter M.W. Gill

doi:10.1063/1.3152864

Approaching the Hartree-Fock limit by perturbative methods

Jia Deng^*, Andrew T.B. Gilbert, Peter M.W. Gill

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

25 Citations (Scopus)

Abstract

We describe perturbative methods for improving finite-basis Hartree-Fock calculations toward the complete-basis limit. The best method appears to offer quadratic error reduction and preliminary numerical applications demonstrate that remarkably accurate Hartree-Fock energies can be obtained.

Original language	English
Article number	231101
Journal	Journal of Chemical Physics
Volume	130
Issue number	23
DOIs	https://doi.org/10.1063/1.3152864
Publication status	Published - 2009

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title = "Approaching the Hartree-Fock limit by perturbative methods",

abstract = "We describe perturbative methods for improving finite-basis Hartree-Fock calculations toward the complete-basis limit. The best method appears to offer quadratic error reduction and preliminary numerical applications demonstrate that remarkably accurate Hartree-Fock energies can be obtained.",

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year = "2009",

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AU - Gilbert, Andrew T.B.

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U2 - 10.1063/1.3152864

DO - 10.1063/1.3152864

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VL - 130

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

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Approaching the Hartree-Fock limit by perturbative methods

Abstract

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