(Q29397765)

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On the energy invariance of open‐shell perturbation theory with respect to unitary transformations of molecular orbitals

scientific article (publication date: 15 July 1996)

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scholarly article

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On the energy invariance of open‐shell perturbation theory with respect to unitary transformations of molecular orbitals (English)

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DOI.org query endpoint

https://doi.org/10.1063%2F1.471951

14 April 2017

perturbation theory

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author name string

T. Daniel Crawford

1

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https://doi.org/10.1063%2F1.471951

14 April 2017

Henry F. Schaefer

2

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https://doi.org/10.1063%2F1.471951

14 April 2017

Timothy J. Lee

3

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https://doi.org/10.1063%2F1.471951

14 April 2017

language of work or name

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publication date

15 July 1996

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https://doi.org/10.1063%2F1.471951

14 April 2017

Journal of Chemical Physics

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https://doi.org/10.1063%2F1.471951

14 April 2017

105

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https://doi.org/10.1063%2F1.471951

14 April 2017

3

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https://doi.org/10.1063%2F1.471951

14 April 2017

1060-1069

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https://doi.org/10.1063%2F1.471951

14 April 2017

Self-Consistent Field Theory for Open Shells of Electronic Systems

1 reference

https://api.crossref.org/works/10.1063%2F1.471951

22 May 2017

Fourth‐order Mo/ller–Plessett perturbation theory in the local correlation treatment. I. Method

1 reference

https://api.crossref.org/works/10.1063%2F1.471951

22 May 2017

Note on an Approximation Treatment for Many-Electron Systems

1 reference

https://api.crossref.org/works/10.1063%2F1.471951

22 May 2017

New Developments in Molecular Orbital Theory

1 reference

https://api.crossref.org/works/10.1063%2F1.471951

22 May 2017

Correlation energy of open-shell systems. Application of the many-body Rayleigh-Schrödinger perturbation theory in the restricted Roothaan-Hartree-Fock formalism

1 reference

https://api.crossref.org/works/10.1063%2F1.471951

22 May 2017

A fifth-order perturbation comparison of electron correlation theories

1 reference

https://api.crossref.org/works/10.1063%2F1.471951

21 January 2018

The form of spin orbitals for open-shell restricted Hartree—Fock reference functions

1 reference

https://api.crossref.org/works/10.1063%2F1.471951

21 January 2018

The analytic gradient for the coupled pair functional method: Formula and application for HCl, H2CO, and the dimer H2CO⋅⋅⋅HCl

1 reference

https://api.crossref.org/works/10.1063%2F1.471951

21 January 2018

An open-shell restricted Hartree—Fock perturbation theory based on symmetric spin orbitals

1 reference

https://api.crossref.org/works/10.1063%2F1.471951

21 January 2018

Open‐shell restricted Hartree–Fock perturbation theory: Some considerations and comparisons

1 reference

https://api.crossref.org/works/10.1063%2F1.471951

21 January 2018

Identifiers

10.1063/1.471951

1 reference

DOI.org query endpoint

https://doi.org/10.1063%2F1.471951

14 April 2017

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