(Q50927891)

English

Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method.

scientific article published in August 2007

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scholarly article

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Europe PubMed Central

PubMed publication ID

25 March 2018

http://europepmc.org/abstract/MED/17718602

Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method. (English)

1 reference

Europe PubMed Central

PubMed publication ID

25 March 2018

http://europepmc.org/abstract/MED/17718602

divide-and-conquer algorithm

1 reference

based on heuristic

inferred from title

3

1 reference

Europe PubMed Central

PubMed publication ID

25 March 2018

http://europepmc.org/abstract/MED/17718602

author name string

Masato Kobayashi

1

1 reference

Europe PubMed Central

PubMed publication ID

25 March 2018

http://europepmc.org/abstract/MED/17718602

Yutaka Imamura

2

1 reference

Europe PubMed Central

PubMed publication ID

25 March 2018

http://europepmc.org/abstract/MED/17718602

language of work or name

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publication date

1 August 2007

1 reference

Europe PubMed Central

PubMed publication ID

25 March 2018

http://europepmc.org/abstract/MED/17718602

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

25 March 2018

http://europepmc.org/abstract/MED/17718602

127

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Europe PubMed Central

PubMed publication ID

25 March 2018

http://europepmc.org/abstract/MED/17718602

7

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Europe PubMed Central

PubMed publication ID

25 March 2018

http://europepmc.org/abstract/MED/17718602

074103

1 reference

Europe PubMed Central

PubMed publication ID

25 March 2018

http://europepmc.org/abstract/MED/17718602

Direct calculation of electron density in density-functional theory

1 reference

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Implementation of divide-and-conquer method including Hartree-Fock exchange interaction.

1 reference

https://api.crossref.org/works/10.1063%2F1.2761878

21 January 2018

The importance of three-body terms in the fragment molecular orbital method

1 reference

https://api.crossref.org/works/10.1063%2F1.2761878

21 January 2018

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

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Extension of molecular electronic structure methods to the solid state: computation of the cohesive energy of lithium hydride.

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

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21 January 2018

An efficient implementation of the "cluster-in-molecule" approach for local electron correlation calculations.

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A Resolution-Of-The-Identity Implementation of the Local Triatomics-In-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational Energies

1 reference

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21 January 2018

Second-order Møller-Plesset perturbation energy obtained from divide-and-conquer Hartree-Fock density matrix.

1 reference

https://api.crossref.org/works/10.1063%2F1.2761878

21 January 2018

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

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21 January 2018

Grid-based energy density analysis: implementation and assessment.

1 reference

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21 January 2018

Energy density analysis of cluster size dependence of surface-molecule interactions: H2, C2H2, C2H4, and CO adsorption onto Si(100)-(2x1) surface

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21 January 2018

Interacting Quantum Atoms: A Correlated Energy Decomposition Scheme Based on the Quantum Theory of Atoms in Molecules.

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21 January 2018

General atomic and molecular electronic structure system

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21 January 2018

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

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21 January 2018

Use of approximate integrals in ab initio theory. An application in MP2 energy calculations

1 reference

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21 January 2018

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

1 reference

https://api.crossref.org/works/10.1063%2F1.2761878

21 January 2018

Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations

1 reference

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21 January 2018

Coupled‐cluster theory employing approximate integrals: An approach to avoid the input/output and storage bottlenecks

1 reference

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21 January 2018

Identifiers

10.1063/1.2761878

1 reference

Europe PubMed Central

PubMed publication ID

25 March 2018

http://europepmc.org/abstract/MED/17718602

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

25 March 2018

http://europepmc.org/abstract/MED/17718602

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