(Q46175086)

English

Implementation and performance of a domain-specific basis set incremental approach for correlation energies: applications to hydrocarbons and a glycine oligomer

scientific article published in December 2008

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19123493

Implementation and performance of a domain-specific basis set incremental approach for correlation energies: applications to hydrocarbons and a glycine oligomer (English)

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19123493

author name string

Joachim Friedrich

1

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19123493

Michael Dolg

2

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19123493

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publication date

1 December 2008

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19123493

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19123493

129

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19123493

24

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19123493

244105

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19123493

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

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Second order Møller-Plesset perturbation theory based upon the fragment molecular orbital method

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Coupled-cluster theory based upon the fragment molecular-orbital method

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

A local correlation model that yields intrinsically smooth potential-energy surfaces

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

A near linear-scaling smooth local coupled cluster algorithm for electronic structure

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Dynamically screened local correlation method using enveloping localized orbitals.

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

General biorthogonal projected bases as applied to second-order Møller-Plesset perturbation theory.

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO-MP2 theory.

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Natural linear-scaled coupled-cluster theory with local transferable triple excitations: applications to peptides

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Fully automated implementation of the incremental scheme: application to CCSD energies for hydrocarbons and transition metal compounds.

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Canonical Configurational Interaction Procedure

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Localized Atomic and Molecular Orbitals

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Parallel Calculation of Coupled Cluster Singles and Doubles Wave Functions Using Array Files.

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives.

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Evaluation of the Electrostatically Embedded Many-Body Expansion and the Electrostatically Embedded Many-Body Expansion of the Correlation Energy by Application to Low-Lying Water Hexamers

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Erratum: “Coupled cluster theory for high spin, open shell reference wave functions” [ J. Chem. Phys. 99, 5219 (1993)]

1 reference

https://api.crossref.org/works/10.1063%2F1.3043797

21 January 2018

Identifiers

10.1063/1.3043797

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19123493

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1 reference

https://api.fatcat.wiki/v0/release/yd35kwv7eraudbmkktnfw2qbg4

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PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19123493

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