Separation of dynamic and nondynamic correlation-Reference-Cited by-同舟云学术

Separation of dynamic and nondynamic correlation

Published:2016 Issue:34 Volume:18 Page:24015-24023
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ramos-Cordoba Eloy¹²³⁴⁵^ORCID,Salvador Pedro⁶⁷⁸⁵,Matito Eduard¹²³⁴⁵

Affiliation:

1. Faculty of Chemistry

2. University of the Basque Country UPV/EHU

3. and Donostia International Physics Center (DIPC).

4. Euskadi

5. Spain

6. Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química

7. University of Girona

8. 17071 Girona

Abstract

A decomposition of the second-order reduced density matrix provides natural orbital based indices that provide a separation of dynamic and nondynamic correlation.

Funder

Secretaría de Estado de Investigación, Desarrollo e Innovación

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP03072F

Reference75 articles.

1. Explicitly Correlated Electrons in Molecules

2. Density functional theory: coverage of dynamic and non-dynamic electron correlation effects

3. On relations between correlation, fluctuation and localization

4. Electron correlation: The many-body problem at the heart of chemistry

5. Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

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