Improved One-Shot Total Energies from the Linearized GW Density Matrix-Reference-Cited by-同舟云学术

Improved One-Shot Total Energies from the Linearized GW Density Matrix

Published:2021-03-11 Issue:4 Volume:17 Page:2126-2136
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Bruneval Fabien¹^ORCID,Rodriguez-Mayorga Mauricio¹,Rinke Patrick²^ORCID,Dvorak Marc²

Affiliation:

1. Université Paris-Saclay, CEA, Service de Recherches de Métallurgie Physique, 91191 Gif-sur-Yvette, France

2. Department of Applied Physics, Aalto University School of Science, 00076 Aalto, Finland

Funder

Suomen Akatemia

Commissariat ? l'?nergie Atomique et aux ?nergies Alternatives

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01264

Reference92 articles.

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

2. TheGWmethod

3. The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy

4. Bruneval, F.; Gatti, M. First Principles Approaches to Spectroscopic Properties of Complex Materials; Di Valentin, C., Botti, S., Cococcioni, M., Eds. Springer Berlin Heidelberg: Berlin, Heidelberg, 2014; pp 99–135.

5. The GW approximation: content, successes and limitations

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