Foundation of One-Particle Reduced Density Matrix Functional Theory for Excited States-Reference-Cited by-同舟云学术

Foundation of One-Particle Reduced Density Matrix Functional Theory for Excited States

Published:2021-12-21 Issue:1 Volume:18 Page:124-140
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Liebert Julia¹²,Castillo Federico³,Labbé Jean-Philippe¹²⁴,Schilling Christian¹²^ORCID

Affiliation:

1. Department of Physics, Arnold Sommerfeld Center for Theoretical Physics, Ludwig-Maximilians-Universität München, Theresienstrasse 37, 80333, München, Germany

2. Munich Center for Quantum Science and Technology (MCQST), Schellingstrasse 4, 80799, München, Germany

3. Max Planck Institute for Mathematics in the Sciences, Inselstraße 22, 04103, Leipzig, Germany

4. Institut für Mathematik, Freie Universität Berlin, Arnimallee 2, 14195, Berlin, Germany

Funder

Engineering and Physical Sciences Research Council

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00561

Reference79 articles.

1. Hohenberg-Kohn theorem for nonlocal external potentials

2. Inhomogeneous Electron Gas

3. Many-Electron Densities and Reduced Density Matrices

4. Piris, M. In Reduced-Density-Matrix Mechanics: With Application to Many-Electron Atoms and Molecules; Mazziotti, D. A., Ed. Wiley-Blackwell, 2007; Chapter 14, p 387.

5. Generalized Pauli constraints in reduced density matrix functional theory

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