(Q47414546)

15 January 2018

title

Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations (English)

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author

Hiromi Nakai

series ordinal

2

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author name string

Masato Kobayashi

series ordinal

1

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language of work or name

English

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publication date

1 July 2008

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Journal of Chemical Physics

published in

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15 January 2018

volume

129

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issue

4

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page(s)

044103

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Direct calculation of electron density in density-functional theory

cites work

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

The limits of local correlation theory: electronic delocalization and chemically smooth potential energy surfaces.

21 January 2018

1 reference

Coupled-cluster theory in a projected atomic orbital basis.

21 January 2018

1 reference

Linear scaling local correlation approach for solving the coupled cluster equations of large systems

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

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General atomic and molecular electronic structure system

21 January 2018

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

21 January 2018

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A fifth-order perturbation comparison of electron correlation theories

21 January 2018

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The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches

21 January 2018

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A parallel vectorized implementation of triple excitations in CCSD(T): application to the binding energies of the AlH3, AlH2F, AlHF2 and AlF3 dimers

21 January 2018

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

21 January 2018

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21 January 2018

Identifiers

DOI

10.1063/1.2956490

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15 January 2018

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15 January 2018