Dynamically Corrected Bethe-Salpeter Equation Solver for Self-consistent $GW$ Reference on the Matsubara Frequency Axis
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arXiv
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| Autori principali: | , , |
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| Natura: | Preprint |
| Pubblicazione: |
2026
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| _version_ | 1866918482125258752 |
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| author | Wen, Ming Harsha, Gaurav Zgid, Dominika |
| author_facet | Wen, Ming Harsha, Gaurav Zgid, Dominika |
| contents | We present a Bethe-Salpeter equation (BSE) solver based on a self-consistent $GW$ reference evaluated on the Matsubara frequency axis, referred to as BSE@sc$GW$. The self-consistent $GW$ starting point provides a robust quasiparticle description and reduces sensitivity to the initial mean-field reference compared to one-shot $GW$-based approaches. We further introduce a dynamical correction to the static Casida formulation via a plasmon-pole model. This scheme incorporates simple dynamical screening effects while retaining the efficiency of an effective eigenvalue problem. The resulting dynamically corrected BSE@sc$GW$ yields excitation energies in close agreement with high-level wavefunction-based benchmarks for both singlet and triplet excitations of small molecules. Overall, the accuracy of the dynamic BSE@sc$GW$ approach arises from the combination of a well-converged single-particle reference and the inclusion of frequency-dependent screening effects. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2604_22187 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Dynamically Corrected Bethe-Salpeter Equation Solver for Self-consistent $GW$ Reference on the Matsubara Frequency Axis Wen, Ming Harsha, Gaurav Zgid, Dominika Chemical Physics Strongly Correlated Electrons We present a Bethe-Salpeter equation (BSE) solver based on a self-consistent $GW$ reference evaluated on the Matsubara frequency axis, referred to as BSE@sc$GW$. The self-consistent $GW$ starting point provides a robust quasiparticle description and reduces sensitivity to the initial mean-field reference compared to one-shot $GW$-based approaches. We further introduce a dynamical correction to the static Casida formulation via a plasmon-pole model. This scheme incorporates simple dynamical screening effects while retaining the efficiency of an effective eigenvalue problem. The resulting dynamically corrected BSE@sc$GW$ yields excitation energies in close agreement with high-level wavefunction-based benchmarks for both singlet and triplet excitations of small molecules. Overall, the accuracy of the dynamic BSE@sc$GW$ approach arises from the combination of a well-converged single-particle reference and the inclusion of frequency-dependent screening effects. |
| title | Dynamically Corrected Bethe-Salpeter Equation Solver for Self-consistent $GW$ Reference on the Matsubara Frequency Axis |
| topic | Chemical Physics Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2604.22187 |