(Q43934330)

28 November 2017

An efficient matrix-matrix multiplication based antisymmetric tensor contraction engine for general order coupled cluster (English)

1 reference

28 November 2017

matrix multiplication

1 reference

Michael Hanrath

1

1 reference

PubMed ID

20707562

28 November 2017

Anna Engels-Putzka

series ordinal

2

1 reference

PubMed ID

20707562

28 November 2017

language of work or name

English

0 references

publication date

1 August 2010

1 reference

Journal of Chemical Physics

28 November 2017

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28 November 2017

133

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28 November 2017

6

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28 November 2017

064108

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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

28 November 2017

1 reference

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

21 January 2018

1 reference

A fifth-order perturbation comparison of electron correlation theories

21 January 2018

1 reference

Parallel implementation of electronic structure energy, gradient, and Hessian calculations.

21 January 2018

1 reference

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

21 January 2018

1 reference

Quantum chemistry in parallel with PQS

21 January 2018

1 reference

Equations of explicitly-correlated coupled-cluster methods.

21 January 2018

1 reference

Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equations

21 January 2018

1 reference

Automated generation of coupled-cluster diagrams: implementation in the multireference state-specific coupled-cluster approach with the complete-active-space reference.

21 January 2018

1 reference

Coupling term derivation and general implementation of state-specific multireference coupled cluster theories.

21 January 2018

1 reference

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

21 January 2018

1 reference

Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units and a Mixed Precision Matrix Multiplication Library

21 January 2018

1 reference

Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation.

21 January 2018

1 reference

Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation

21 January 2018

1 reference

A new determinant-based full configuration interaction method

21 January 2018

1 reference

High performance computational chemistry: An overview of NWChem a distributed parallel application

21 January 2018

1 reference

Accelerating the convergence of the coupled-cluster approach

21 January 2018

1 reference

The closed‐shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results

21 January 2018

1 reference

An efficient closed-shell singles and doubles coupled-cluster method

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3467878

1 reference

28 November 2017

1 reference

PubMed ID

20707562