Optimization of the Linear-Scaling Local Natural Orbital CCSD(T) Method: Improved Algorithm and Benchmark Applications-Reference-Cited by-同舟云学术

Optimization of the Linear-Scaling Local Natural Orbital CCSD(T) Method: Improved Algorithm and Benchmark Applications

Published:2018-07-02 Issue:8 Volume:14 Page:4193-4215
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Nagy Péter R.¹^ORCID,Samu Gyula¹,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

Emberi Eroforr?sok Miniszt?riuma

Nemzeti Kutat?si, Fejleszt?si ?s Innov?ci?s Hivatal

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00442

Reference116 articles.

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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. Higher excitations in coupled-cluster theory

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