(Q44138285)

30 November 2017

title

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

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30 November 2017

3

Martin Head-Gordon

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30 November 2017

Joseph E Subotnik

1

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30 November 2017

Alex Sodt

series ordinal

2

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30 November 2017

language of work or name

English

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publication date

1 August 2006

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Journal of Chemical Physics

30 November 2017

published in

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30 November 2017

volume

125

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30 November 2017

issue

7

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30 November 2017

page(s)

074116

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

30 November 2017

cites work

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On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods

21 January 2018

1 reference

A fifth-order perturbation comparison of electron correlation theories

21 January 2018

1 reference

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

21 January 2018

1 reference

Impact of local and density fitting approximations on harmonic vibrational frequencies

21 January 2018

1 reference

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

21 January 2018

1 reference

Potential energy surface discontinuities in local correlation methods

21 January 2018

1 reference

Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates.

21 January 2018

1 reference

A localized basis that allows fast and accurate second-order Moller-Plesset calculations

21 January 2018

1 reference

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

21 January 2018

1 reference

Dynamically screened local correlation method using enveloping localized orbitals.

21 January 2018

1 reference

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

21 January 2018

1 reference

A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

21 January 2018

1 reference

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

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2336426

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30 November 2017

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