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Accelerating GW Calculations of Point Defects with the Defect-Patched Screening Approximation

  • Published:2023-12-07 Issue:24 Volume:19 Page:9435-9444
  • ISSN:1549-9618
  • Container-title:Journal of Chemical Theory and Computation
  • language:en
  • Short-container-title:J. Chem. Theory Comput.

Author:

Li Du1,Liu Zhen-Fei2ORCID,Yang Li13ORCID

Affiliation:

1. Department of Physics, Washington University in St. Louis, St. Louis, Missouri 63130, United States

2. Department of Chemistry, Wayne State University, Detroit, Michigan 48202, United States

3. Institute of Materials Science and Engineering, Washington University in St. Louis, St. Louis, Missouri 63130, United States

Funder

Division of Materials Research

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Static versus dynamically polarizable environments within the many-body GW formalism;The Journal of Chemical Physics;2024-04-16

2. Generalized Substrate Screening GW for Covalently Bonded Interfaces;The Journal of Physical Chemistry Letters;2024-02-16
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