Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform.

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Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)].An uracil-linked hydroxyflavone probe for the recognition of ATP.

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Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform.

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Optimization of the linear-scaling local natural orbital CCSD

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Optimization of the linear-sca ...... ction using Laplace transform.

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Optimization of the linear-scaling local natural orbital CCSD

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Optimization of the linear-sca ...... ction using Laplace transform.

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Optimization of the linear-scaling local natural orbital CCSD

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Optimization of the linear-sca ...... ction using Laplace transform.

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Optimization of the linear-sca ...... ction using Laplace transform.

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Mihály Kállay

http://www.w3.org/2001/XMLSchema#string

Péter R Nagy

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

Coupled-cluster theory in quantum chemistry

Canonical Configurational Interaction Procedure

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

Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals.

Low Scaling Algorithms for the Random Phase Approximation: Imaginary Time and Laplace Transformations.

A benchmark comparison of σ/σ and π/π dispersion: the dimers of naphthalene and decalin, and coronene and perhydrocoronene.

The accuracy of quantum chemical methods for large noncovalent complexes.

Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory.

Massively Parallel Implementation of Explicitly Correlated Coupled-Cluster Singles and Doubles Using TiledArray Framework.

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214106

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scholarly article

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10.1063/1.4984322

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English

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146

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Mihaly Kallay

Péter R Nagy

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2017-06-01T00:00:00Z

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28576082

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Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform.

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P2860

P2860

Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform.

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P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P932

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P932