Spin-restricted ensemble-referenced Kohn-Sham method: basic principles and application to strongly correlated ground and excited states of molecules-Reference-Cited by-同舟云学术

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Spin-restricted ensemble-referenced Kohn-Sham method: basic principles and application to strongly correlated ground and excited states of molecules

Published:2014-11-17 Issue:1 Volume:5 Page:146-167
ISSN:1759-0876
Container-title:Wiley Interdisciplinary Reviews: Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Filatov Michael¹

Affiliation:

1. Institut für Physikalische und Theoretische Chemie; Universität Bonn; Bonn Germany

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/wcms.1209/fullpdf

Reference101 articles.

1. 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;Löwdin;Phys Rev,1955

2. Quantum theory of many-particle systems. III. Extension of the Hartree-Fock scheme to include degenerate systems and correlation effects;Löwdin;Phys Rev,1955

3. Many-electron theory of atoms, molecules and their interactions;Sinanoglŭ;Adv Chem Phys,1964

4. MULTICONFIGURATIONAL SECOND-ORDER PERTURBATION THEORY

5. Second-order perturbation theory with a complete active space self-consistent field reference function;Andersson;J Chem Phys,1992

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