Reproducing benchmark potential energy curves of molecular bond dissociation with small complete active space aided with density and density-matrix functional corrections-Reference-Cited by-同舟云学术

Reproducing benchmark potential energy curves of molecular bond dissociation with small complete active space aided with density and density-matrix functional corrections

Published:2019-10-28 Issue:16 Volume:151 Page:164122
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Pernal Katarzyna¹^ORCID,Gritsenko Oleg V.¹²^ORCID,van Meer Robert²^ORCID

Affiliation:

1. Institute of Physics, Lodz University of Technology, PL-90-924 Lodz, Poland

2. Department of Physics, National Taiwan University, Taipei 10617, Taiwan

Funder

Narodowe Centrum Nauki

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5124948

Reference40 articles.

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2. Left-right correlation energy

3. The nature of multiple bonds. 2. Significance of the perfect-pairing approximation

4. Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree‐Fock density and its application to the hydrides of the second row atoms

5. Study of the electronic structure of molecules. XXII. Correlation energy corrections as a functional of the Hartree‐Fock type density and its application to the homonuclear diatomic molecules of the second row atoms

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