(Q52407160)

English

Accurate and efficient treatment of two-electron contributions in quasirelativistic high-order Douglas-Kroll density-functional calculations.

scientific article published in November 2005

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scholarly article

1 reference

Europe PubMed Central

1 May 2018

http://europepmc.org/abstract/MED/16351246

Accurate and efficient treatment of two-electron contributions in quasirelativistic high-order Douglas-Kroll density-functional calculations. (English)

1 reference

Europe PubMed Central

1 May 2018

http://europepmc.org/abstract/MED/16351246

Christoph van Wüllen

1

1 reference

Europe PubMed Central

1 May 2018

http://europepmc.org/abstract/MED/16351246

author name string

Christine Michauk

2

1 reference

Europe PubMed Central

1 May 2018

http://europepmc.org/abstract/MED/16351246

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publication date

1 November 2005

1 reference

Europe PubMed Central

1 May 2018

http://europepmc.org/abstract/MED/16351246

Journal of Chemical Physics

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Europe PubMed Central

1 May 2018

http://europepmc.org/abstract/MED/16351246

123

1 reference

Europe PubMed Central

1 May 2018

http://europepmc.org/abstract/MED/16351246

204113

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Europe PubMed Central

1 May 2018

http://europepmc.org/abstract/MED/16351246

20

1 reference

Europe PubMed Central

1 May 2018

http://europepmc.org/abstract/MED/16351246

Relation between different variants of the generalized Douglas-Kroll transformation through sixth order.

1 reference

https://api.crossref.org/works/10.1063%2F1.2133731

21 January 2018

Exact decoupling of the Dirac Hamiltonian. II. The generalized Douglas-Kroll-Hess transformation up to arbitrary order.

1 reference

https://api.crossref.org/works/10.1063%2F1.2133731

21 January 2018

Note on Exchange Phenomena in the Thomas Atom

1 reference

https://api.crossref.org/works/10.1063%2F1.2133731

21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://api.crossref.org/works/10.1063%2F1.2133731

21 January 2018

Density-functional thermochemistry. III. The role of exact exchange

1 reference

https://api.crossref.org/works/10.1063%2F1.2133731

21 January 2018

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1 reference

https://api.crossref.org/works/10.1063%2F1.2133731

21 January 2018

The generalized Douglas–Kroll transformation

1 reference

https://api.crossref.org/works/10.1063%2F1.2133731

21 January 2018

Identifiers

10.1063/1.2133731

1 reference

Europe PubMed Central

1 May 2018

http://europepmc.org/abstract/MED/16351246

1 reference

Europe PubMed Central

1 May 2018

http://europepmc.org/abstract/MED/16351246

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