Scalable Electron Correlation Methods. 5. Parallel Perturbative Triples Correction for Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals-Reference-Cited by-同舟云学术

Scalable Electron Correlation Methods. 5. Parallel Perturbative Triples Correction for Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals

Published:2017-12-20 Issue:1 Volume:14 Page:198-215
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ma Qianli¹,Werner Hans-Joachim¹^ORCID

Affiliation:

1. Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany

Funder

FP7 Ideas: European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b01141

Reference142 articles.

1. Initiation of explicitly correlated Slater-type geminal theory

2. Explicitly correlated second order perturbation theory: Introduction of a rational generator and numerical quadratures

3. An explicitly correlated second order Møller-Plesset theory using a frozen Gaussian geminal

4. Improving on the resolution of the identity in linear R12 ab initio theories

5. New correlation factors for explicitly correlated electronic wave functions

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