Ionized, electron-attached, and excited states of molecular systems with spin–orbit coupling: Two-component GW and Bethe–Salpeter implementations-Reference-Cited by-同舟云学术

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Ionized, electron-attached, and excited states of molecular systems with spin–orbit coupling: Two-component GW and Bethe–Salpeter implementations

Published:2019-05-28 Issue:20 Volume:150 Page:204116
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Holzer Christof¹^ORCID,Klopper Wim¹²^ORCID

Affiliation:

1. Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), KIT Campus South, P. O. Box 6980, D-76049 Karlsruhe, Germany

2. Centre for Advanced Study (CAS) at The Norwegian Academy of Science and Letters, Drammensveien 78, N-0271 Oslo, Norway

Funder

Deutsche Forschungsgemeinschaft

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5094244

Reference101 articles.

1. New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem

2. All-electronGWmethods implemented in molecular orbital space: Ionization energy and electron affinity of conjugated molecules

3. Ionization energy of atoms obtained from GW self-energy or from random phase approximation total energies

4. The GW-Method for Quantum Chemistry Applications: Theory and Implementation

5. Benchmarking the Starting Points of the GW Approximation for Molecules

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3. Beyond Electrons: Correlation and Self‐Energy in Multicomponent Density Functional Theory;ChemPhysChem;2024-05-29

4. Relativistic Fully Self-Consistent GW for Molecules: Total Energies and Ionization Potentials;Journal of Chemical Theory and Computation;2024-05-23

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