Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform-Reference-Cited by-同舟云学术

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

Published:2017-06-01 Issue:21 Volume:146 Page:214106
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Nagy Péter R.¹^ORCID,Kállay Mihály¹^ORCID

Affiliation:

1. MTA-BME Lendület Quantum Chemistry Research Group, Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, P.O. Box 91, H-1521 Budapest, Hungary

Funder

Wellcome Trust

National Institutes of Health

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference146 articles.

1. Coupled-cluster theory in quantum chemistry

2. Analytic second derivatives for general coupled-cluster and configuration-interaction models

3. Calculation of excited-state properties using general coupled-cluster and configuration-interaction models

4. A fifth-order perturbation comparison of electron correlation theories

5. Why CCSD(T) works: a different perspective

Cited by 80 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Basis-Set Limit CCSD(T) Energies for Large Molecules with Local Natural Orbitals and Reduced-Scaling Basis-Set Corrections;Journal of Chemical Theory and Computation;2024-08-29

2. Accurate and efficient open-source implementation of domain-based local pair natural orbital (DLPNO) coupled-cluster theory using a t1-transformed Hamiltonian;The Journal of Chemical Physics;2024-08-22

3. Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexes;The Journal of Chemical Physics;2024-08-06

4. A machine learning-based high-precision density functional method for drug-like molecules;Artificial Intelligence Chemistry;2024-06

5. Combining state-of-the-art quantum chemistry and machine learning make gold standard potential energy surfaces accessible for medium-sized molecules;Artificial Intelligence Chemistry;2024-06