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This is a Quantitative Study study.

October 19, 2025Open Access

Self-consistent GW via conservation of spectral moments

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Authors

OBOliver J. BackhouseKing's College London MAMarcus T. AllenKing's College London CSCharles C. J. Scott

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Implication

This research demonstrates a new self-consistent GW approach improving accuracy in screening approximations, indicating enhanced performance for charged excitations.

Key Points

A little-explored self-consistent GW variant shows the highest accuracy across molecular test cases.
Efficiency improvements and a parallelism strategy enable scaling similar to classical Hartree-Fock codes with manageable costs.
The framework allows for full self-consistency of dynamical variables while avoiding analytic continuation, enhancing convergence.
Chlorophyll A was studied, achieving experimental agreement within uncertainty, validating the model's accuracy in charged excitation descriptions.

Cite This Study

Backhouse et al. (2025) studied this question.

synapsesocial.com/papers/68f4e6c6b7a339e8eaa04b63 https://doi.org/10.48550/arxiv.2504.17439

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Implication

This research demonstrates a new self-consistent GW approach improving accuracy in screening approximations, indicating enhanced performance for charged excitations.

Self-consistent GW via conservation of spectral moments

Discussion

Member takes

Implication

Key Points

Cite This Study

Self-consistent GW via conservation of spectral moments

Discussion

Member takes

Implication

Key Points

Cite This Study

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