Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal-Reference-Cited by-同舟云学术

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Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal

Published:2014-06-07 Issue:21 Volume:140 Page:214114
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Boguslawski Katharina¹,Tecmer Paweł¹,Limacher Peter A.¹,Johnson Paul A.¹,Ayers Paul W.¹,Bultinck Patrick²,De Baerdemacker Stijn³,Van Neck Dimitri³

Affiliation:

1. Department of Chemistry and Chemical Biology, McMaster University, Hamilton, 1280 Main Street West, Ontario L8S 4M1, Canada

2. Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281 (S3), 9000 Gent, Belgium

3. Center for Molecular Modelling, Ghent University, Technologiepark 903, 9052 Gent, Belgium

Funder

Swiss National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4880820

Reference75 articles.

1. The molecular orbital theory of chemical valency XVI. A theory of paired-electrons in polyatomic molecules

2. Direct Determination of Natural Orbitals and Natural Expansion Coefficients of Many‐Electron Wavefunctions. I. Natural Orbitals in the Geminal Product Approximation

3. Structure of Fermion Density Matrices. II. Antisymmetrized Geminal Powers

4. On the validity of the electron pair approximation for the Beryllium ground state

5. Electron Correlation and Augmented Separated‐Pair Expansion

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