Scalable Molecular GW Calculations: Valence and Core Spectra-Reference-Cited by-同舟云学术

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Scalable Molecular GW Calculations: Valence and Core Spectra

Published:2021-12-02 Issue:12 Volume:17 Page:7504-7517
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mejia-Rodriguez Daniel¹^ORCID,Kunitsa Alexander²,Aprà Edoardo¹^ORCID,Govind Niranjan³^ORCID

Affiliation:

1. Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

2. Department of Chemistry, University of Illinois at Urbana−Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801, United States

3. Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00738

Reference101 articles.

1. Many – Body Methods in Chemistry and Physics

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

Cited by 23 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. Real-Space Pseudopotential Method for the Calculation of Third-Row Elements X-ray Photoelectron Spectroscopic Signatures;Journal of Chemical Theory and Computation;2024-07-06

2. Validation of the GreenX library time-frequency component for efficient GW and RPA calculations;Physical Review B;2024-06-03

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

4. Efficient Full-Frequency GW Calculations Using a Lanczos Method;Physical Review Letters;2024-03-21

5. Electronic polarization effects in core-level spectroscopy;Physical Review B;2024-03-14

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