Quasi-particle energy spectra in local reduced density matrix functional theory-Reference-Cited by-同舟云学术

Quasi-particle energy spectra in local reduced density matrix functional theory

Published:2014-10-28 Issue:16 Volume:141 Page:164120
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Lathiotakis Nektarios N.¹^ORCID,Helbig Nicole²,Rubio Angel³,Gidopoulos Nikitas I.⁴

Affiliation:

1. Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Vass. Constantinou 48, GR-11635 Athens, Greece

2. Peter-Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich, D-52425 Jülich, Germany

3. Nano-Bio Spectroscopy Group and ETSF Scientific Development Centre, Dpto. Física de Materiales, Universidad del País Vasco, CFM CSIC-UPV/EHU-MPC and DIPC, Av. Tolosa 72, E-20018 San Sebastián, Spain

4. Department of Physics, Durham University, South Road, Durham DH1 3LE, United Kingdom

Funder

Spanish

European Commission (EC)

European Research Council (ERC)

General Secretariat for Research and Technology (GSRT)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4899072

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4. The spin-unrestricted molecular Kohn–Sham solution and the analogue of Koopmans’s theorem for open-shell molecules

5. The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies

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